RMG Output

Species (85)


IndexThermo
H298 (kcal/mol), S298 (cal/mol*K), Cp (cal/mol*K)		StructureLabelSMILESMW
(g/mol)
-1.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
-0.00 37.01 4.97 4.97 4.97 4.97
Thermo library: primaryThermoLibrary
[Molecule(SMILES="[Ar]")]
 Ar Ar [Ar] 39.35
-1.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
-0.00 30.15 4.97 4.97 4.97 4.97
Thermo library: primaryThermoLibrary
[Molecule(SMILES="[He]")]
 He He [He] 4.00
-1.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
-0.00 34.97 4.97 4.97 4.97 4.97
Thermo library: primaryThermoLibrary
[Molecule(SMILES="[Ne]")]
 Ne Ne [Ne] 20.18
-1.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
-0.00 45.79 6.96 7.07 7.81 8.31
Thermo library: primaryThermoLibrary
[Molecule(SMILES="N#N"), Molecule(SMILES="N#N")]
 N2 N2 N#N 28.01
1.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
67.30 76.30 25.28 32.70 41.52 45.50
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH2]1[SiH2][SiH2]1")]
 cSi3H6(1) cSi3H6(1) [SiH2]1[SiH2][SiH2]1 90.30
2.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
83.41 81.56 25.35 32.54 41.65 45.53
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H3Si) + other(R) + group(si-Sis-H) + other(R)
[Molecule(SMILES="[SiH][SiH2][SiH3]")]
 H6Si3(2) H6Si3(2) [SiH][SiH2][SiH3] 90.30
3.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
5.57 48.86 10.30 13.97 20.05 22.72
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH4]")]
 SiH4(3) SiH4(3) [SiH4] 32.12
4.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
15.97 65.43 19.06 25.94 35.22 39.11
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH3][SiH3]")]
 Si2H6(4) Si2H6(4) [SiH3][SiH3] 62.22
5.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
62.87 49.55 8.34 9.37 11.67 12.72
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH2]")]
 SiH2(5) SiH2(5) [SiH2] 30.10
6.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
72.43 70.02 16.52 20.89 26.58 28.92
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH][SiH3]")]
 SiH3SiH(6) SiH3SiH(6) [SiH][SiH3] 60.20
7.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
45.89 51.82 9.59 11.92 15.90 17.70
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH3]")]
 SiH3(7) SiH3(7) [SiH3] 31.11
8.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
52.40 68.42 18.10 23.63 30.95 34.03
Thermo library: SiliconHydrideLibrary + radical(SisJ_Si_H2)
[Molecule(SMILES="[SiH2][SiH3]")]
 Si2H5(8) Si2H5(8) [SiH2][SiH3] 61.21
11.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
0.00 31.23 6.92 6.97 7.22 7.72
Thermo library: primaryThermoLibrary
[Molecule(SMILES="[H][H]")]
 H2(11) H2(11) [H][H] 2.02
13.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
64.56 64.26 16.50 21.01 26.39 28.83
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH2]=[SiH2]")]
 H4Si2(13) H4Si2(13) [SiH2]=[SiH2] 60.20
16.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
88.69 62.53 14.86 18.01 22.06 23.88
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(si-
Sid-H) + other(R)
[Molecule(SMILES="[Si]=[SiH2]")]
 SiH2Si(16) SiH2Si(16) [Si]=[SiH2] 58.19
43.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
110.30 61.06 12.84 14.98 17.64 18.69
Thermo group additivity estimation: group(si-Sid-H) + other(R) + group(si-Sid-H)
+ other(R)
[Molecule(SMILES="[Si]=[Si]")]
 Si2(43) Si2(43) [Si]=[Si] 56.17
12.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
30.21 79.20 28.03 37.80 50.34 55.78
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H3Si) + other(R) + group(Sis-H3Si) + other(R)
[Molecule(SMILES="[SiH3][SiH2][SiH3]")]
 Si3H8(12) Si3H8(12) [SiH3][SiH2][SiH3] 92.32
41.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
81.32 93.86 34.42 44.37 56.65 61.82
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H3Si) + other(R) + group(Sid-Sid-H-Si) + other(R) + group(Sid-Sid-H2) + other(R)
[Molecule(SMILES="[SiH2]=[SiH][SiH2][SiH3]")]
 H8Si4(41) H8Si4(41) [SiH2]=[SiH][SiH2][SiH3] 120.41
27.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
72.61 79.00 25.43 32.54 41.51 45.42
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sid-
Sid-H-Si) + other(R) + group(Sid-Sid-H2) + other(R)
[Molecule(SMILES="[SiH2]=[SiH][SiH3]")]
 H6Si3(27) H6Si3(27) [SiH2]=[SiH][SiH3] 90.30
63.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
36.40 91.30 37.11 49.65 65.47 72.26
Thermo group additivity estimation: group(Sis-HSi3) + other(R) + group(Sis-H3Si)
+ other(R) + group(Sis-H3Si) + other(R) + group(Sis-H3Si) + other(R)
[Molecule(SMILES="[SiH3][SiH]([SiH3])[SiH3]")]
 H10Si4(63) H10Si4(63) [SiH3][SiH]([SiH3])[SiH3] 122.42
33.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
38.92 94.06 37.02 49.68 65.42 72.24
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H2Si2) + other(R) + group(Sis-H3Si) + other(R) + group(Sis-H3Si) + other(R)
[Molecule(SMILES="[SiH3][SiH2][SiH2][SiH3]")]
 H10Si4(33) H10Si4(33) [SiH3][SiH2][SiH2][SiH3] 122.42
57.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
81.00 77.75 24.94 32.12 41.41 45.40
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sis-H3Si)
+ other(R) + group(si-Sis2) + other(R)
[Molecule(SMILES="[SiH3][Si][SiH3]")]
 H6Si3(57) H6Si3(57) [SiH3][Si][SiH3] 90.30
15.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
90.02 47.33 7.17 7.30 8.16 8.61
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH]")]
 SiH(15) SiH(15) [SiH] 29.09
60.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
89.71 93.98 33.92 43.94 56.56 61.80
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H3Si) + other(R) + group(Sis-H3Si) + other(R) + group(si-Sis2) + other(R)
[Molecule(SMILES="[SiH3][Si][SiH2][SiH3]")]
 H8Si4(60) H8Si4(60) [SiH3][Si][SiH2][SiH3] 120.41
36.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
66.63 82.19 27.08 35.49 46.04 50.74
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H3Si) + other(R) + group(Sis-H3Si) + other(R) + radical(SisJ_Si_H2)
[Molecule(SMILES="[SiH2][SiH2][SiH3]")]
 H7Si3(36) H7Si3(36) [SiH2][SiH2][SiH3] 91.31
23.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
96.10 70.25 15.25 18.43 22.09 23.80
Thermo library: SiliconHydrideLibrary + radical(SisJ_SiLP)
[Molecule(SMILES="[SiH][SiH2]")]
 H3Si2(23) H3Si2(23) [SiH][SiH2] 59.19
69.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
78.14 91.24 34.01 44.05 56.51 61.77
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sis-H3Si)
+ other(R) + group(Sid-Sid-H-Si) + other(R) + group(Sid-Sid-H-Si) + other(R)
[Molecule(SMILES="[SiH3][SiH]=[SiH][SiH3]")]
 H8Si4(69) H8Si4(69) [SiH3][SiH]=[SiH][SiH3] 120.41
95.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
199.27 124.35 26.98 32.65 39.53 42.36
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(Sid-
Sid-H2) + other(R) + group(si-Sid-H) + other(R) + group(si-Sid-H) + other(R) +
radical(SiJ_LP_Si)
[Molecule(SMILES="[Si][SiH]=[SiH][SiH]"), Molecule(SMILES="[Si]=[SiH][SiH][SiH]")]
 H3Si4(95) H3Si4(95) [Si][SiH]=[SiH][SiH] 115.37
55.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
149.65 106.75 29.18 36.62 45.61 49.39
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sid-
Sid-H-Si) + other(R) + group(Sid-Sid-H2) + other(R) + group(si-Sid-H) + other(R)
+ radical(SiJ_LP_Si)
[Molecule(SMILES="[Si][SiH]=[SiH][SiH3]"), Molecule(SMILES="[Si]=[SiH][SiH][SiH3]")]
 H5Si4(55) H5Si4(55) [Si][SiH]=[SiH][SiH3] 117.38
10.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
92.12 96.42 34.33 44.36 56.79 61.93
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H2Si2) + other(R) + group(Sis-H3Si) + other(R) + group(si-Sis-H) + other(R)
[Molecule(SMILES="[SiH][SiH2][SiH2][SiH3]")]
 H8Si4(10) H8Si4(10) [SiH][SiH2][SiH2][SiH3] 120.41
112.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
165.73 91.66 18.61 22.10 26.15 27.87
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(si-
Sid-H) + other(R) + group(si-Sid-H) + other(R) + radical(SiJ_LP_Si)
[Molecule(SMILES="[Si][SiH]=[Si]")]
 HSi3(112) HSi3(112) [Si][SiH]=[Si] 85.26
9.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
55.30 86.00 33.03 43.90 56.47 61.91
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH2]1[SiH2][SiH2][SiH2]1")]
 cSi4H8(9) cSi4H8(9) [SiH2]1[SiH2][SiH2][SiH2]1 120.41
35.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
75.34 97.05 36.06 47.32 61.18 67.15
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H2Si2) + other(R) + group(Sis-H3Si) + other(R) + group(Sis-H3Si) + other(R) +
radical(SisJ_Si_H2)
[Molecule(SMILES="[SiH2][SiH2][SiH2][SiH3]")]
 H9Si4(35) H9Si4(35) [SiH2][SiH2][SiH2][SiH3] 121.41
53.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
144.12 93.13 20.62 25.12 30.61 33.05
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(Sid-
Sid-H2) + other(R) + group(si-Sid-H) + other(R) + radical(SiJ_LP_Si)
[Molecule(SMILES="[Si][SiH]=[SiH2]"), Molecule(SMILES="[Si]=[SiH][SiH2]")]
 H3Si3(53) H3Si3(53) [Si][SiH]=[SiH2] 87.28
88.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
128.93 59.68 12.33 13.25 13.81 14.34
Thermo library: SiliconHydrideLibrary + radical(SiJ_LP_H)
[Molecule(SMILES="[Si][SiH]"), Molecule(SMILES="[Si]#[SiH]")]
 HSi2(88) HSi2(88) [Si][SiH] 57.18
124.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
89.22 91.89 31.74 41.23 52.11 56.79
Thermo library: SiliconHydrideLibrary + radical(SisJ_Si2_H)
[Molecule(SMILES="[SiH]1[SiH2][SiH2][SiH2]1")]
 H7Si4(124) H7Si4(124) [SiH]1[SiH2][SiH2][SiH2]1 119.40
125.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
108.80 84.80 29.94 38.14 47.56 51.48
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[Si]1[SiH2][SiH2][SiH2]1")]
 H6Si4(125) H6Si4(125) [Si]1[SiH2][SiH2][SiH2]1 118.39
91.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
115.79 95.85 33.05 41.89 52.34 56.79
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H2Si2) + other(R) + group(Sis-H3Si) + other(R) + group(si-Sis-H) + other(R) +
radical(SisJ_SiLP)
[Molecule(SMILES="[SiH][SiH][SiH2][SiH3]")]
 H7Si4(91) H7Si4(91) [SiH][SiH][SiH2][SiH3] 119.40
160.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
95.60 84.30 29.48 37.99 47.39 51.41
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH]1=[SiH][SiH2][SiH2]1")]
 H6Si4(160) H6Si4(160) [SiH]1=[SiH][SiH2][SiH2]1 118.39
169.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
116.80 80.40 25.94 31.95 38.32 40.87
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[Si]1[SiH]=[SiH][SiH2]1")]
 H4Si4(169) H4Si4(169) [Si]1[SiH]=[SiH][SiH2]1 116.37
175.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
172.90 118.16 22.56 29.28 37.08 40.38
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(Sid-
Sid-H2) + other(R) + group(si-Sid-si) + other(R) + group(si-Sid-si) + other(R) +
ring(Cyclobutane)
[Molecule(SMILES="[Si]1[Si][SiH]=[SiH]1"), Molecule(SMILES="[Si]1#[Si][SiH]=[SiH]1")]
 H2Si4(175) H2Si4(175) [Si]1[Si][SiH]=[SiH]1 114.36
162.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
138.20 86.70 23.95 31.72 40.53 44.06
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H2Si2) + other(R) + group(si-Sis-si) + other(R) + group(si-Sis-si) + other(R) +
ring(Cyclobutane)
[Molecule(SMILES="[Si]1[Si][SiH2][SiH2]1"), Molecule(SMILES="[Si]1#[Si][SiH2][SiH2]1")]
 H4Si4(162) H4Si4(162) [Si]1[Si][SiH2][SiH2]1 116.37
178.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
165.39 82.03 20.02 25.66 31.49 33.67
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(si-Sis-
si) + other(R) + group(si-Sis-si) + other(R) + group(si-si2) + other(R) +
ring(Cyclobutane)
[Molecule(SMILES="[Si]1[Si][SiH2][Si]1"), Molecule(SMILES="[Si]1[Si]#[Si][SiH2]1")]
 H2Si4(178) H2Si4(178) [Si]1[Si][SiH2][Si]1 114.36
24.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
107.08 80.99 24.07 30.05 37.20 40.37
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H3Si) + other(R) + group(si-Sis-H) + other(R) + radical(SisJ_SiLP)
[Molecule(SMILES="[SiH][SiH][SiH3]")]
 H5Si3(24) H5Si3(24) [SiH][SiH][SiH3] 89.30
181.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
169.80 60.91 15.78 19.71 22.67 23.51
Thermo group additivity estimation: group(si-si2) + other(R) + group(si-si2) +
other(R) + group(si-si2) + other(R) + group(si-si2) + other(R) +
ring(Cyclobutane)
[Molecule(SMILES="[Si]1[Si][Si][Si]1"), Molecule(SMILES="[Si]1[Si][Si]#[Si]1"), Molecule(SMILES="[Si]1#[Si][Si]#[Si]1")]
 Si4(181) Si4(181) [Si]1[Si][Si][Si]1 112.34
150.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
212.60 104.32 25.39 29.34 33.52 34.95
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(si-Sid-
si) + other(R) + group(si-Sis-H) + other(R) + group(si-Sid-H) + other(R) +
radical(SiJ_LP_H)
[Molecule(SMILES="[Si][Si][SiH]=[Si]"), Molecule(SMILES="[Si]=[SiH][Si]#[Si]")]
 HSi4(150) HSi4(150) [Si][Si][SiH]=[Si] 113.35
30.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
94.32 66.55 13.93 17.42 21.77 23.59
Thermo library: SiliconHydrideLibrary + radical(SiJ_LP_Si)
[Molecule(SMILES="[Si][SiH3]")]
 H3Si2(30) H3Si2(30) [Si][SiH3] 59.19
116.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
114.01 92.95 31.71 40.95 51.94 56.62
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H2Si2) + other(R) + group(Sis-H3Si) + other(R) + group(si-Sis-H) + other(R) +
radical(SiJ_LP_Si)
[Molecule(SMILES="[Si][SiH2][SiH2][SiH3]")]
 H7Si4(116) H7Si4(116) [Si][SiH2][SiH2][SiH3] 119.40
173.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
139.48 82.22 25.43 32.85 40.79 44.22
Thermo group additivity estimation: group(Sid-Sid-H-Si) + other(R) + group(Sid-
Sid-H-Si) + other(R) + group(Sid-Sid-H-Si) + other(R) + group(Sid-Sid-H-Si) +
other(R) + ring(Cyclobutane)
[Molecule(SMILES="[SiH]1=[SiH][SiH]=[SiH]1")]
 H4Si4(173) H4Si4(173) [SiH]1=[SiH][SiH]=[SiH]1 116.37
38.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
72.84 97.19 35.72 46.97 61.09 67.10
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H2Si2) + other(R) + group(Sis-H3Si) + other(R) + group(Sis-H3Si) + other(R) +
radical(SisJ_Si2_H)
[Molecule(SMILES="[SiH3][SiH][SiH2][SiH3]")]
 H9Si4(38) H9Si4(38) [SiH3][SiH][SiH2][SiH3] 121.41
37.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
64.13 80.96 26.74 35.15 45.95 50.68
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H3Si) + other(R) + group(Sis-H3Si) + other(R) + radical(SisJ_Si2_H)
[Molecule(SMILES="[SiH3][SiH][SiH3]")]
 H7Si3(37) H7Si3(37) [SiH3][SiH][SiH3] 91.31
161.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
162.62 84.96 25.27 32.69 40.87 44.31
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H2Si2) + other(R) + group(si-Sis2) + other(R) + group(si-Sis2) + other(R) +
ring(Cyclobutane)
[Molecule(SMILES="[Si]1[SiH2][Si][SiH2]1")]
 H4Si4(161) H4Si4(161) [Si]1[SiH2][Si][SiH2]1 116.37
26.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
105.31 78.09 22.72 29.11 36.81 40.20
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H3Si) + other(R) + group(si-Sis-H) + other(R) + radical(SiJ_LP_Si)
[Molecule(SMILES="[Si][SiH2][SiH3]")]
 H5Si3(26) H5Si3(26) [Si][SiH2][SiH3] 89.30
128.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
142.14 76.06 20.20 24.23 28.85 30.73
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(si-Sis-
si) + other(R) + group(si-Sis-H) + other(R) + radical(SiJ_LP_H)
[Molecule(SMILES="[Si][Si][SiH3]"), Molecule(SMILES="[Si]#[Si][SiH3]")]
 H3Si3(128) H3Si3(128) [Si][Si][SiH3] 87.28
62.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
122.23 96.60 23.24 28.55 35.45 38.36
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(Sid-
Sid-H2) + other(R) + group(si-Sid-H) + other(R)
[Molecule(SMILES="[SiH][SiH]=[SiH2]")]
 H4Si3(62) H4Si3(62) [SiH][SiH]=[SiH2] 88.29
28.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
121.99 80.98 21.56 26.40 32.52 35.00
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(si-Sis-
si) + other(R) + group(si-Sis-H) + other(R)
[Molecule(SMILES="[SiH][Si][SiH3]"), Molecule(SMILES="[SiH]#[Si][SiH3]")]
 H4Si3(28) H4Si3(28) [SiH][Si][SiH3] 88.29
119.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
143.84 95.13 21.23 25.53 30.99 33.18
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(si-
Sid-H) + other(R) + group(si-Sid-H) + other(R)
[Molecule(SMILES="[Si]=[SiH][SiH]")]
 H2Si3(119) H2Si3(119) [Si]=[SiH][SiH] 86.27
90.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
127.76 110.22 31.80 40.05 50.45 54.71
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sid-
Sid-H-Si) + other(R) + group(Sid-Sid-H2) + other(R) + group(si-Sid-H) + other(R)
[Molecule(SMILES="[SiH][SiH]=[SiH][SiH3]")]
 H6Si4(90) H6Si4(90) [SiH][SiH]=[SiH][SiH3] 118.39
82.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
130.70 95.84 30.54 38.24 47.66 51.41
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H3Si) + other(R) + group(si-Sis-si) + other(R) + group(si-Sis-H) + other(R)
[Molecule(SMILES="[SiH][Si][SiH2][SiH3]"), Molecule(SMILES="[SiH]#[Si][SiH2][SiH3]")]
 H6Si4(82) H6Si4(82) [SiH][Si][SiH2][SiH3] 118.39
149.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
190.99 105.79 27.41 32.37 37.98 40.13
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(Sid-
Sid-H2) + other(R) + group(si-Sid-si) + other(R) + group(si-Sis-H) + other(R) +
radical(SiJ_LP_H)
[Molecule(SMILES="[Si][Si][SiH]=[SiH2]"), Molecule(SMILES="[Si]#[Si][SiH]=[SiH2]")]
 H3Si4(149) H3Si4(149) [Si][Si][SiH]=[SiH2] 115.37
80.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
116.08 92.90 29.45 37.38 47.18 51.19
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sis-H3Si)
+ other(R) + group(si-Sis-si) + other(R) + group(si-Sis-si) + other(R)
[Molecule(SMILES="[SiH3][Si][Si][SiH3]"), Molecule(SMILES="[SiH3][Si]#[Si][SiH3]")]
 H6Si4(80) H6Si4(80) [SiH3][Si][Si][SiH3] 118.39
190.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
174.15 109.96 28.54 34.49 41.48 44.39
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sid-
Sid-H2) + other(R) + group(si-Sis-Sid) + other(R) + group(si-Sid-H) + other(R) +
radical(SisJ_SiLP)
[Molecule(SMILES="[Si]=[SiH][Si][SiH2]")]
 H3Si4(190) H3Si4(190) [Si]=[SiH][Si][SiH2] 115.37
61.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
128.87 111.20 31.83 39.97 50.40 54.70
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sid-
Sid-H2) + other(R) + group(Sid-Sid-H2) + other(R) + group(si-Sis-Sid) + other(R)
[Molecule(SMILES="[SiH2]=[SiH][Si][SiH3]")]
 H6Si4(61) H6Si4(61) [SiH2]=[SiH][Si][SiH3] 118.39
50.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
123.72 90.90 31.80 39.11 47.85 51.43
Thermo group additivity estimation: group(Sid-Sid-H-Si) + other(R) + group(Sid-
Sid-H-Si) + other(R) + group(Sid-Sid-H2) + other(R) + group(Sid-Sid-H2) +
other(R)
[Molecule(SMILES="[SiH2]=[SiH][SiH]=[SiH2]")]
 H6Si4(50) H6Si4(50) [SiH2]=[SiH][SiH]=[SiH2] 118.39
121.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
150.48 109.73 29.82 36.95 45.94 49.52
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sid-
Sid-H2) + other(R) + group(si-Sis-Sid) + other(R) + group(si-Sid-H) + other(R)
[Molecule(SMILES="[Si]=[SiH][Si][SiH3]")]
 H4Si4(121) H4Si4(121) [Si]=[SiH][Si][SiH3] 116.37
220.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
152.54 111.43 30.55 37.51 45.94 49.57
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sid-
Sid-H2) + other(R) + group(Sid-Sid-H2) + other(R) + group(si-Sis-Sid) + other(R)
+ radical(SisJ_SiLP)
[Molecule(SMILES="[SiH2][Si][SiH]=[SiH2]")]
 H5Si4(220) H5Si4(220) [SiH2][Si][SiH]=[SiH2] 117.38
122.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
192.45 109.24 26.75 31.51 37.20 39.22
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(si-Sid-
si) + other(R) + group(si-Sis-H) + other(R) + group(si-Sid-H) + other(R)
[Molecule(SMILES="[Si]=[SiH][Si][SiH]"), Molecule(SMILES="[Si]=[SiH][Si]#[SiH]")]
 H2Si4(122) H2Si4(122) [Si]=[SiH][Si][SiH] 114.36
212.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
139.75 94.51 28.16 34.91 42.72 46.05
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sis-H3Si)
+ other(R) + group(si-Sis-si) + other(R) + group(si-Sis-si) + other(R) +
radical(SisJ_SiLP)
[Molecule(SMILES="[SiH2][Si][Si][SiH3]"), Molecule(SMILES="[SiH2]=[Si]=[Si][SiH3]"), Molecule(SMILES="[SiH2][Si]#[Si][SiH3]")]
 H5Si4(212) H5Si4(212) [SiH2][Si][Si][SiH3] 117.38
19.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
108.78 63.22 13.69 15.42 17.49 18.60
Thermo library: SiliconHydrideLibrary
[Molecule(SMILES="[SiH][SiH]"), Molecule(SMILES="[SiH]#[SiH]")]
 Si2H2(19) Si2H2(19) [SiH][SiH] 58.19
170.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
140.47 79.83 24.66 29.48 33.85 35.74
Thermo library: SiliconHydrideLibrary + radical(SisJ_SiLP)
[Molecule(SMILES="[Si]1[SiH][SiH]=[SiH]1")]
 H3Si4(170) H3Si4(170) [Si]1[SiH][SiH]=[SiH]1 115.37
179.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
161.87 87.51 22.67 29.27 36.02 38.94
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H2Si2) + other(R) + group(si-Sis-si) + other(R) + group(si-Sis-si) + other(R) +
ring(Cyclobutane) + radical(SisJ_SiLP)
[Molecule(SMILES="[Si]1[Si][SiH2][SiH]1"), Molecule(SMILES="[Si]1=[Si]=[SiH][SiH2]1"), Molecule(SMILES="[Si]1#[Si][SiH2][SiH]1")]
 H3Si4(179) H3Si4(179) [Si]1[Si][SiH2][SiH]1 115.37
167.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
129.52 86.06 28.18 35.29 43.05 46.27
Thermo library: SiliconHydrideLibrary + radical(SisJ_Si2_H)
[Molecule(SMILES="[SiH]1[SiH]=[SiH][SiH2]1")]
 H5Si4(167) H5Si4(167) [SiH]1[SiH]=[SiH][SiH2]1 117.38
139.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
132.47 84.23 28.66 35.66 43.11 46.34
Thermo library: SiliconHydrideLibrary + radical(SisJ_SiLP)
[Molecule(SMILES="[Si]1[SiH][SiH2][SiH2]1")]
 H5Si4(139) H5Si4(139) [Si]1[SiH][SiH2][SiH2]1 117.38
176.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
203.94 121.17 21.44 26.64 32.79 35.39
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(Sid-
Sid-H2) + other(R) + group(si-Sid-si) + other(R) + group(si-Sid-si) + other(R) +
ring(Cyclobutane) + radical(SidsJ_Si)
[Molecule(SMILES="[Si]1[Si][SiH]=[Si]1"), Molecule(SMILES="[Si]1=[Si]=[Si]=[SiH]1"), Molecule(SMILES="[Si]1[Si]#[Si][SiH]=1")]
 HSi4(176) HSi4(176) [Si]1[Si][SiH]=[Si]1 113.35
180.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
189.06 81.46 18.71 23.24 26.94 28.57
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(si-Sis-
si) + other(R) + group(si-Sis-si) + other(R) + group(si-si2) + other(R) +
ring(Cyclobutane) + radical(SisJ_SiLP)
[Molecule(SMILES="[Si]1[Si][SiH][Si]1"), Molecule(SMILES="[Si]1[Si]=[Si]=[SiH]1"), Molecule(SMILES="[Si]1[Si]#[Si][SiH]1")]
 HSi4(180) HSi4(180) [Si]1[Si][SiH][Si]1 113.35
171.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
147.84 83.41 24.81 29.29 34.05 35.85
Thermo library: SiliconHydrideLibrary + radical(SidsJ_Si)
[Molecule(SMILES="[Si]1[SiH]=[Si][SiH2]1")]
 H3Si4(171) H3Si4(171) [Si]1[SiH]=[Si][SiH2]1 115.37
172.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
147.84 83.41 24.81 29.29 34.05 35.85
Thermo library: SiliconHydrideLibrary + radical(SidsJ_Si)
[Molecule(SMILES="[Si]1[Si]=[SiH][SiH2]1")]
 H3Si4(172) H3Si4(172) [Si]1[Si]=[SiH][SiH2]1 115.37
191.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
170.52 86.61 24.31 30.18 36.51 39.20
Thermo group additivity estimation: group(Sid-Sid-H-Si) + other(R) + group(Sid-
Sid-H-Si) + other(R) + group(Sid-Sid-H-Si) + other(R) + group(Sid-Sid-H-Si) +
other(R) + ring(Cyclobutane) + radical(SidsJ_Si)
[Molecule(SMILES="[Si]1=[SiH][SiH]=[SiH]1"), Molecule(SMILES="[Si]1=[SiH][SiH][SiH]=1")]
 H3Si4(191) H3Si4(191) [Si]1=[SiH][SiH]=[SiH]1 115.37
168.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
126.64 87.31 28.36 35.29 43.13 46.37
Thermo library: SiliconHydrideLibrary + radical(SidsJ_Si)
[Molecule(SMILES="[Si]1=[SiH][SiH2][SiH2]1")]
 H5Si4(168) H5Si4(168) [Si]1=[SiH][SiH2][SiH2]1 117.38
138.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
142.72 86.56 28.63 35.46 43.22 46.34
Thermo library: SiliconHydrideLibrary + radical(SisJ_Si2_H)
[Molecule(SMILES="[Si]1[SiH2][SiH][SiH2]1")]
 H5Si4(138) H5Si4(138) [Si]1[SiH2][SiH][SiH2]1 117.38
46.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
134.52 94.84 31.72 39.11 47.99 51.53
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sid-
Sid-H-Si) + other(R) + group(Sid-Sid-H2) + other(R) + group(si-Sis-H) + other(R)
[Molecule(SMILES="[SiH][SiH2][SiH]=[SiH2]")]
 H6Si4(46) H6Si4(46) [SiH][SiH2][SiH]=[SiH2] 118.39
199.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
186.29 85.77 24.00 30.22 36.41 39.18
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H2Si2) + other(R) + group(si-Sis2) + other(R) + group(si-Sis2) + other(R) +
ring(Cyclobutane) + radical(SisJ_SiLP)
[Molecule(SMILES="[Si]1[SiH][Si][SiH2]1")]
 H3Si4(199) H3Si4(199) [Si]1[SiH][Si][SiH2]1 115.37
42.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
119.73 66.92 13.74 15.34 17.80 18.85
Thermo group additivity estimation: group(Sid-Sid-H2) + other(R) + group(si-
Sid-H) + other(R) + radical(SidsJ_Si)
[Molecule(SMILES="[Si]=[SiH]")]
 HSi2(42) HSi2(42) [Si]=[SiH] 57.18
65.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
103.65 82.00 24.31 29.86 37.26 40.38
Thermo group additivity estimation: group(Sis-H3Si) + other(R) + group(Sid-
Sid-H-Si) + other(R) + group(Sid-Sid-H2) + other(R) + radical(SidsJ_Si)
[Molecule(SMILES="[SiH]=[SiH][SiH3]")]
 H5Si3(65) H5Si3(65) [SiH]=[SiH][SiH3] 89.30
59.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
112.36 96.86 33.29 41.70 52.39 56.79
Thermo group additivity estimation: group(Sis-H2Si2) + other(R) + group(Sis-
H3Si) + other(R) + group(Sid-Sid-H-Si) + other(R) + group(Sid-Sid-H2) + other(R)
+ radical(SidsJ_Si)
[Molecule(SMILES="[SiH]=[SiH][SiH2][SiH3]")]
 H7Si4(59) H7Si4(59) [SiH]=[SiH][SiH2][SiH3] 119.40

Reactions (902)

Reaction families:








check all     uncheck all

Reaction Details:




check all     uncheck all

Reaction Filter:

Reactant 1:   Reactant 2:   Product 1:   Product 2:

 

Reaction List:

IndexReactionFamily
1. cSi3H6(1) ⇔ H6Si3(2) Silicon
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.6+9.3+10.6+11.2
Arrhenius(A=(1.202e+13,'1/s'), n=0, Ea=(17.2,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = 16.11
S298 (cal/mol*K) = 5.26
G298 (kcal/mol) = 14.54
! Library reaction: Silicon ! Flux pairs: cSi3H6(1), H6Si3(2); cSi3H6(1)=H6Si3(2) 1.202e+13 0.000 17.200
4. Si2H6(4) ⇔ SiH4(3) + SiH2(5) Silicon_Giunta_1990
T/[K] 500100015002000
log10(k/[mole,m,s]) -7.3+4.4+8.2+10.1
Arrhenius(A=(2.5e+19,'1/s'), n=-1, Ea=(54.9,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = 52.47
S298 (cal/mol*K) = 32.99
G298 (kcal/mol) = 42.64
! Library reaction: Silicon_Giunta_1990 ! Flux pairs: Si2H6(4), SiH4(3); Si2H6(4), SiH2(5); Si2H6(4)=SiH4(3)+SiH2(5) 2.500e+19 -1.000 54.900
14. SiH3SiH(6) ⇔ SiH2(5) + SiH2(5) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) -12.9-1.4+2.3+4.0
log10(k(10 bar)/[mole,m,s]) -12.0-0.5+3.2+4.9
Troe(arrheniusHigh=Arrhenius(A=(3.1e+12,'1/s'), n=0.14, Ea=(54684,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(8.26e+20,'cm^3/mol/s'), n=-1.65, Ea=(56283,'cal/mol'), T0=(1,'K')), alpha=-0.3811, T3=(159.08,'K'), T1=(-4032.7,'K'), T2=(86.611,'K'), efficiencies={})
H298 (kcal/mol) = 53.32
S298 (cal/mol*K) = 29.09
G298 (kcal/mol) = 44.65
! Library reaction: DolletSi2H4 ! Flux pairs: SiH3SiH(6), SiH2(5); SiH3SiH(6), SiH2(5); SiH3SiH(6)(+M)=SiH2(5)+SiH2(5)(+M) 3.100e+12 0.140 54.684 LOW/ 8.260e+20 -1.650 56.283 / TROE/ -3.811e-01 159 -4.03e+03 86.6 /
36. SiH2(5) + SiH3SiH(6) ⇔ H6Si3(2) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -51.89
S298 (cal/mol*K) = -38.02
G298 (kcal/mol) = -40.56
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(6), H6Si3(2); SiH2(5), H6Si3(2); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(5)+SiH3SiH(6)=H6Si3(2) 9.300e+13 0.000 -0.454
38. SiH3(7) + SiH3(7) ⇔ Si2H6(4) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_silyl)""")
H298 (kcal/mol) = -75.81
S298 (cal/mol*K) = -38.22
G298 (kcal/mol) = -64.43
! Template reaction: R_Recombination ! Flux pairs: SiH3(7), Si2H6(4); SiH3(7), Si2H6(4); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_silyl) SiH3(7)+SiH3(7)=Si2H6(4) 7.206e+12 0.101 -0.195
48. SiH2(5) + SiH3(7) ⇔ Si2H5(8) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.9+7.9+7.2+6.9
Arrhenius(A=(693874,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -56.37
S298 (cal/mol*K) = -32.95
G298 (kcal/mol) = -46.55
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3(7), Si2H5(8); SiH2(5), Si2H5(8); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 3 SiH2(5)+SiH3(7)=Si2H5(8) 6.939e+11 0.000 -9.392
63. SiH4(3) + Si2H5(8) ⇔ Si2H6(4) + SiH3(7) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.8+7.8+8.4
Arrhenius(A=(506,'cm^3/(mol*s)'), n=3.66, Ea=(16.1408,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Matched reaction 1019 SiH4 + SiH2SiH3-2 <=> SiH3 + Si2H6 in H_Abstraction/training Ea raised from 5.2 to 16.1 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 3.90
S298 (cal/mol*K) = -0.04
G298 (kcal/mol) = 3.91
! Template reaction: H_Abstraction ! Flux pairs: SiH4(3), SiH3(7); Si2H5(8), Si2H6(4); ! Matched reaction 1019 SiH4 + SiH2SiH3-2 <=> SiH3 + Si2H6 in H_Abstraction/training ! Ea raised from 5.2 to 16.1 kJ/mol to match endothermicity of reaction. SiH4(3)+Si2H5(8)=Si2H6(4)+SiH3(7) 5.060e+02 3.660 3.858
3. SiH4(3) ⇔ SiH2(5) + H2(11) Silicon_Giunta_1990
T/[K] 500100015002000
log10(k/[mole,m,s]) -10.3+1.8+5.8+7.8
Arrhenius(A=(3.3e+15,'1/s'), n=-0.5, Ea=(55.9,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = 57.30
S298 (cal/mol*K) = 31.92
G298 (kcal/mol) = 47.79
! Library reaction: Silicon_Giunta_1990 ! Flux pairs: SiH4(3), SiH2(5); SiH4(3), H2(11); SiH4(3)=SiH2(5)+H2(11) 3.300e+15 -0.500 55.900
5. Si2H6(4) ⇔ SiH3SiH(6) + H2(11) Silicon_Giunta_1990
T/[K] 500100015002000
log10(k/[mole,m,s]) -8.9+3.2+7.2+9.3
Arrhenius(A=(2e+15,'1/s'), n=0, Ea=(55.3,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = 56.45
S298 (cal/mol*K) = 35.83
G298 (kcal/mol) = 45.78
! Library reaction: Silicon_Giunta_1990 ! Flux pairs: Si2H6(4), SiH3SiH(6); Si2H6(4), H2(11); Si2H6(4)=SiH3SiH(6)+H2(11) 2.000e+15 0.000 55.300
8. SiH3SiH(6) ⇔ H4Si2(13) Silicon_Giunta_1990
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+9.4+9.4+9.2
Arrhenius(A=(1.15e+20,'1/s'), n=-3.06, Ea=(6.63,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = -7.87
S298 (cal/mol*K) = -5.76
G298 (kcal/mol) = -6.16
! Library reaction: Silicon_Giunta_1990 ! Flux pairs: SiH3SiH(6), H4Si2(13); SiH3SiH(6)=H4Si2(13) 1.150e+20 -3.060 6.630
9. SiH2(5) + SiH2(5) ⇔ H4Si2(13) Silicon_Giunta_1990
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+8.4+8.4+8.4
Arrhenius(A=(2.5e+14,'cm^3/mol/s'), n=0, Ea=(0,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = -61.19
S298 (cal/mol*K) = -34.84
G298 (kcal/mol) = -50.81
! Library reaction: Silicon_Giunta_1990 ! Flux pairs: SiH2(5), H4Si2(13); SiH2(5), H4Si2(13); SiH2(5)+SiH2(5)=H4Si2(13) 2.500e+14 0.000 0.000
12. SiH3SiH(6) ⇔ H2(11) + SiH2Si(16) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) -5.9+2.3+4.7+5.8
log10(k(10 bar)/[mole,m,s]) -4.9+3.2+5.7+6.8
Troe(arrheniusHigh=Arrhenius(A=(2.53e+18,'1/s'), n=-1.3, Ea=(41338,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(1.11e+24,'cm^3/mol/s'), n=-2.55, Ea=(42141,'cal/mol'), T0=(1,'K')), alpha=-1.0975, T3=(608.24,'K'), T1=(671.96,'K'), T2=(413.41,'K'), efficiencies={})
H298 (kcal/mol) = 16.26
S298 (cal/mol*K) = 23.75
G298 (kcal/mol) = 9.18
! Library reaction: DolletSi2H4 ! Flux pairs: SiH3SiH(6), H2(11); SiH3SiH(6), SiH2Si(16); SiH3SiH(6)(+M)=H2(11)+SiH2Si(16)(+M) 2.530e+18 -1.300 41.338 LOW/ 1.110e+24 -2.550 42.141 / TROE/ -1.097e+00 608 672 413 /
90. H2(11) + SiH2Si(16) ⇔ H4Si2(13) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -24.13
S298 (cal/mol*K) = -29.50
G298 (kcal/mol) = -15.34
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H4Si2(13); SiH2Si(16), H4Si2(13); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+SiH2Si(16)=H4Si2(13) 2.100e+06 1.970 -0.454
97. H2(11) + Si2(43) ⇔ SiH2Si(16) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+6.6+6.9+7.2
Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.61
S298 (cal/mol*K) = -29.76
G298 (kcal/mol) = -12.74
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), SiH2Si(16); Si2(43), SiH2Si(16); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 4 H2(11)+Si2(43)=SiH2Si(16) 4.200e+06 1.970 -0.454
6. Si3H8(12) ⇔ Si2H6(4) + SiH2(5) Silicon_Giunta_1990
T/[K] 500100015002000
log10(k/[mole,m,s]) -7.5+4.3+8.2+10.0
Arrhenius(A=(2.6e+19,'1/s'), n=-1, Ea=(55.5,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = 48.64
S298 (cal/mol*K) = 35.78
G298 (kcal/mol) = 37.98
! Library reaction: Silicon_Giunta_1990 ! Flux pairs: Si3H8(12), Si2H6(4); Si3H8(12), SiH2(5); Si3H8(12)=Si2H6(4)+SiH2(5) 2.600e+19 -1.000 55.500
7. Si3H8(12) ⇔ SiH4(3) + SiH3SiH(6) Silicon_Giunta_1990
T/[K] 500100015002000
log10(k/[mole,m,s]) -6.8+3.9+7.5+9.3
Arrhenius(A=(4.8e+14,'1/s'), n=0, Ea=(49.2,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = 47.79
S298 (cal/mol*K) = 39.69
G298 (kcal/mol) = 35.96
! Library reaction: Silicon_Giunta_1990 ! Flux pairs: Si3H8(12), SiH4(3); Si3H8(12), SiH3SiH(6); Si3H8(12)=SiH4(3)+SiH3SiH(6) 4.800e+14 0.000 49.200
81. SiH3(7) + Si2H5(8) ⇔ Si3H8(12) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -68.08
S298 (cal/mol*K) = -41.05
G298 (kcal/mol) = -55.85
! Template reaction: R_Recombination ! Flux pairs: SiH3(7), Si3H8(12); Si2H5(8), Si3H8(12); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) SiH3(7)+Si2H5(8)=Si3H8(12) 7.206e+12 0.101 -0.195
86. H6Si3(2) + H2(11) ⇔ Si3H8(12) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.9+6.3+6.5+6.6
Arrhenius(A=(6.02e+12,'cm^3/(mol*s)'), n=0, Ea=(2.1,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 13 Si2H5SiH + H2 <=> Si3H8-1 in Silylene_Insertion/training""")
H298 (kcal/mol) = -53.20
S298 (cal/mol*K) = -33.59
G298 (kcal/mol) = -43.19
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(2), Si3H8(12); H2(11), Si3H8(12); ! Matched reaction 13 Si2H5SiH + H2 <=> Si3H8-1 in Silylene_Insertion/training H6Si3(2)+H2(11)=Si3H8(12) 6.020e+12 0.000 2.100
92. SiH3SiH(6) + H4Si2(13) ⇔ H8Si4(41) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(24000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -55.66
S298 (cal/mol*K) = -40.43
G298 (kcal/mol) = -43.62
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(6), H8Si4(41); H4Si2(13), H8Si4(41); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 4 SiH3SiH(6)+H4Si2(13)=H8Si4(41) 2.400e+10 0.000 -9.100
99. Si2H6(4) + SiH2Si(16) ⇔ H8Si4(41) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -23.34
S298 (cal/mol*K) = -34.10
G298 (kcal/mol) = -13.18
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H8Si4(41); SiH2Si(16), H8Si4(41); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si2H6(4)+SiH2Si(16)=H8Si4(41) 1.116e+15 0.000 -0.454
32. H6Si3(2) ⇔ H6Si3(27) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+10.5+11.1+11.4
Arrhenius(A=(2e+12,'1/s'), n=0, Ea=(8.1,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 2 Si2H5SiH <=> SiH3Si2H4 in Silylene_to_Silene/training""")
H298 (kcal/mol) = -10.80
S298 (cal/mol*K) = -2.56
G298 (kcal/mol) = -10.04
! Template reaction: Silylene_to_Silene ! Flux pairs: H6Si3(2), H6Si3(27); ! Matched reaction 2 Si2H5SiH <=> SiH3Si2H4 in Silylene_to_Silene/training H6Si3(2)=H6Si3(27) 2.000e+12 0.000 8.100
91. SiH2(5) + H4Si2(13) ⇔ H6Si3(27) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.1+8.0+7.3+7.0
Arrhenius(A=(925165,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -54.82
S298 (cal/mol*K) = -34.82
G298 (kcal/mol) = -44.44
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H6Si3(27); H4Si2(13), H6Si3(27); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H4Si2(13)=H6Si3(27) 9.252e+11 0.000 -9.392
98. SiH4(3) + SiH2Si(16) ⇔ H6Si3(27) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.65
S298 (cal/mol*K) = -32.40
G298 (kcal/mol) = -12.00
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H6Si3(27); SiH2Si(16), H6Si3(27); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+SiH2Si(16)=H6Si3(27) 7.440e+14 0.000 -0.454
133. SiH2(5) + H6Si3(27) ⇔ H8Si4(41) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -54.16
S298 (cal/mol*K) = -34.69
G298 (kcal/mol) = -43.83
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(27), H8Si4(41); SiH2(5), H8Si4(41); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(5)+H6Si3(27)=H8Si4(41) 9.300e+13 0.000 -0.454
134. SiH2(5) + Si3H8(12) ⇔ H10Si4(63) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+7.8+7.0+6.5
Arrhenius(A=(1.9e+11,'cm^3/(mol*s)'), n=0, Ea=(-11.6,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 6 SiH2 + Si3H8-2 <=> iSi4H10 in Silylene_Insertion/training""")
H298 (kcal/mol) = -56.68
S298 (cal/mol*K) = -37.45
G298 (kcal/mol) = -45.52
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H10Si4(63); Si3H8(12), H10Si4(63); ! Matched reaction 6 SiH2 + Si3H8-2 <=> iSi4H10 in Silylene_Insertion/training SiH2(5)+Si3H8(12)=H10Si4(63) 1.900e+11 0.000 -11.600
53. H6Si3(2) + SiH4(3) ⇔ H10Si4(33) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.3+6.4+5.8+5.5
Arrhenius(A=(3.8e+10,'cm^3/(mol*s)'), n=0, Ea=(-8.5,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 9 Si2H5SiH + SiH4 <=> nSi4H10 in Silylene_Insertion/training""")
H298 (kcal/mol) = -50.06
S298 (cal/mol*K) = -36.37
G298 (kcal/mol) = -39.23
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(2), H10Si4(33); SiH4(3), H10Si4(33); ! Matched reaction 9 Si2H5SiH + SiH4 <=> nSi4H10 in Silylene_Insertion/training H6Si3(2)+SiH4(3)=H10Si4(33) 3.800e+10 0.000 -8.500
64. Si2H6(4) + SiH3SiH(6) ⇔ H10Si4(33) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+6.5+5.9+5.6
Arrhenius(A=(36000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -49.48
S298 (cal/mol*K) = -41.39
G298 (kcal/mol) = -37.15
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H10Si4(33); SiH3SiH(6), H10Si4(33); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si2H6(4)+SiH3SiH(6)=H10Si4(33) 3.600e+10 0.000 -9.100
84. Si2H5(8) + Si2H5(8) ⇔ H10Si4(33) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -65.87
S298 (cal/mol*K) = -42.79
G298 (kcal/mol) = -53.12
! Template reaction: R_Recombination ! Flux pairs: Si2H5(8), H10Si4(33); Si2H5(8), H10Si4(33); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Si2H5(8)+Si2H5(8)=H10Si4(33) 7.206e+12 0.101 -0.195
135. SiH2(5) + Si3H8(12) ⇔ H10Si4(33) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.6+8.5+8.4+8.4
Arrhenius(A=(2.24e+14,'cm^3/(mol*s)'), n=0, Ea=(-2,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Matched reaction 4 SiH2 + Si3H8-1 <=> nSi4H10 in Silylene_Insertion/training""")
H298 (kcal/mol) = -54.17
S298 (cal/mol*K) = -34.69
G298 (kcal/mol) = -43.83
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H10Si4(33); Si3H8(12), H10Si4(33); ! Matched reaction 4 SiH2 + Si3H8-1 <=> nSi4H10 in Silylene_Insertion/training SiH2(5)+Si3H8(12)=H10Si4(33) 2.240e+14 0.000 -0.478
120. H6Si3(57) + H2(11) ⇔ Si3H8(12) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+7.2+7.2+7.1
Arrhenius(A=(1.2e+13,'cm^3/(mol*s)'), n=0, Ea=(-0.5,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 14 H3SiSiSiH3 + H2 <=> Si3H8-1 in Silylene_Insertion/training""")
H298 (kcal/mol) = -50.79
S298 (cal/mol*K) = -29.78
G298 (kcal/mol) = -41.91
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), Si3H8(12); H6Si3(57), Si3H8(12); ! Matched reaction 14 H3SiSiSiH3 + H2 <=> Si3H8-1 in Silylene_Insertion/training H6Si3(57)+H2(11)=Si3H8(12) 1.200e+13 0.000 -0.500
152. H6Si3(57) ⇔ H6Si3(27) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.6+11.7+12.0+12.2
Arrhenius(A=(5.01e+12,'1/s'), n=0, Ea=(4.7,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 4 H3SiSiSiH3 <=> SiH3Si2H4 in Silylene_to_Silene/training""")
H298 (kcal/mol) = -8.39
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -8.76
! Template reaction: Silylene_to_Silene ! Flux pairs: H6Si3(57), H6Si3(27); ! Matched reaction 4 H3SiSiSiH3 <=> SiH3Si2H4 in Silylene_to_Silene/training H6Si3(57)=H6Si3(27) 5.010e+12 0.000 4.700
159. SiH4(3) + H6Si3(57) ⇔ H10Si4(63) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.6+5.8+5.4
Arrhenius(A=(1.9e+10,'cm^3/(mol*s)'), n=0, Ea=(-10.4,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 7 H3SiSiSiH3 + SiH4 <=> iSi4H10 in Silylene_Insertion/training""")
H298 (kcal/mol) = -50.17
S298 (cal/mol*K) = -35.31
G298 (kcal/mol) = -39.65
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H10Si4(63); H6Si3(57), H10Si4(63); ! Matched reaction 7 H3SiSiSiH3 + SiH4 <=> iSi4H10 in Silylene_Insertion/training SiH4(3)+H6Si3(57)=H10Si4(63) 1.900e+10 0.000 -10.400
11. SiH3SiH(6) ⇔ SiH3(7) + SiH(15) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) -16.5-3.4+0.8+2.7
log10(k(10 bar)/[mole,m,s]) -15.5-2.4+1.8+3.7
Troe(arrheniusHigh=Arrhenius(A=(5.85e+19,'1/s'), n=-1.79, Ea=(64940,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(3.46e+23,'cm^3/mol/s'), n=-2.57, Ea=(65262,'cal/mol'), T0=(1,'K')), alpha=2.2323, T3=(3283.8,'K'), T1=(5564.6,'K'), T2=(8035.7,'K'), efficiencies={})
H298 (kcal/mol) = 63.49
S298 (cal/mol*K) = 29.13
G298 (kcal/mol) = 54.81
! Library reaction: DolletSi2H4 ! Flux pairs: SiH3SiH(6), SiH3(7); SiH3SiH(6), SiH(15); SiH3SiH(6)(+M)=SiH3(7)+SiH(15)(+M) 5.850e+19 -1.790 64.940 LOW/ 3.460e+23 -2.570 65.262 / TROE/ 2.232e+00 3.28e+03 5.56e+03 8.04e+03 /
22. SiH3(7) + SiH(15) ⇔ H4Si2(13) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) +3.7+3.4+3.3+3.2
log10(k(10 bar)/[mole,m,s]) +4.5+4.4+4.2+4.1
Troe(arrheniusHigh=Arrhenius(A=(2.77e+09,'cm^3/mol/s'), n=0.849, Ea=(-302.59,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.46e+14,'cm^6/mol^2/s'), n=0.0304, Ea=(173.36,'cal/mol'), T0=(1,'K')), alpha=-0.5098, T3=(48.255,'K'), T1=(-17400,'K'), T2=(20.582,'K'), efficiencies={})
H298 (kcal/mol) = -71.36
S298 (cal/mol*K) = -34.89
G298 (kcal/mol) = -60.96
! Library reaction: DolletSi2H4 ! Flux pairs: SiH3(7), H4Si2(13); SiH(15), H4Si2(13); SiH3(7)+SiH(15)(+M)=H4Si2(13)(+M) 2.770e+09 0.849 -0.303 LOW/ 2.460e+14 0.030 0.173 / TROE/ -5.098e-01 48.3 -1.74e+04 20.6 /
28. Si2H5(8) + SiH(15) ⇔ H6Si3(2) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -59.01
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = -48.82
! Template reaction: R_Recombination ! Flux pairs: SiH(15), H6Si3(2); Si2H5(8), H6Si3(2); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Si2H5(8)+SiH(15)=H6Si3(2) 7.206e+12 0.101 -0.195
44. H2(11) + SiH(15) ⇔ SiH3(7) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.13
S298 (cal/mol*K) = -26.74
G298 (kcal/mol) = -36.16
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), SiH3(7); SiH(15), SiH3(7); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+SiH(15)=SiH3(7) 2.100e+06 1.970 -0.454
49. SiH4(3) + SiH(15) ⇔ Si2H5(8) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -43.20
S298 (cal/mol*K) = -27.78
G298 (kcal/mol) = -34.92
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), Si2H5(8); SiH(15), Si2H5(8); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+SiH(15)=Si2H5(8) 7.440e+14 0.000 -0.454
65. SiH2(5) + SiH3(7) ⇔ SiH4(3) + SiH(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -13.17
S298 (cal/mol*K) = -5.18
G298 (kcal/mol) = -11.63
! Template reaction: H_Abstraction ! Flux pairs: SiH2(5), SiH(15); SiH3(7), SiH4(3); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH2(5)+SiH3(7)=SiH4(3)+SiH(15) 7.792e+02 3.620 -0.129
66. SiH2(5) + Si2H5(8) ⇔ Si2H6(4) + SiH(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.27
S298 (cal/mol*K) = -5.22
G298 (kcal/mol) = -7.72
! Template reaction: H_Abstraction ! Flux pairs: SiH2(5), SiH(15); Si2H5(8), Si2H6(4); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(5)+Si2H5(8)=Si2H6(4)+SiH(15) 7.792e+02 3.620 -0.129
127. H8Si4(60) ⇔ H8Si4(41) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+11.4+11.7+11.9
Arrhenius(A=(2.505e+12,'1/s'), n=0, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH3) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -8.39
S298 (cal/mol*K) = -0.13
G298 (kcal/mol) = -8.35
! Template reaction: Silylene_to_Silene ! Flux pairs: H8Si4(60), H8Si4(41); ! Exact match found for rate rule (SiSiSiH3) ! Multiplied by reaction path degeneracy 3 H8Si4(60)=H8Si4(41) 2.505e+12 0.000 4.700
175. H8Si4(60) + H2(11) ⇔ H10Si4(33) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -50.79
S298 (cal/mol*K) = -31.16
G298 (kcal/mol) = -41.50
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H10Si4(33); H8Si4(60), H10Si4(33); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H8Si4(60)+H2(11)=H10Si4(33) 2.400e+13 0.000 -0.500
192. SiH2(5) + H6Si3(57) ⇔ H8Si4(60) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -54.16
S298 (cal/mol*K) = -33.32
G298 (kcal/mol) = -44.24
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H8Si4(60); H6Si3(57), H8Si4(60); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 6 SiH2(5)+H6Si3(57)=H8Si4(60) 1.860e+14 0.000 -0.454
67. SiH2(5) + Si2H5(8) ⇔ H7Si3(36) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -48.64
S298 (cal/mol*K) = -35.78
G298 (kcal/mol) = -37.98
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H7Si3(36); Si2H5(8), H7Si3(36); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(5)+Si2H5(8)=H7Si3(36) 9.300e+13 0.000 -0.454
72. SiH3SiH(6) + SiH3(7) ⇔ H7Si3(36) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -51.69
S298 (cal/mol*K) = -39.65
G298 (kcal/mol) = -39.87
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(6), H7Si3(36); SiH3(7), H7Si3(36); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 3 SiH3SiH(6)+SiH3(7)=H7Si3(36) 1.800e+10 0.000 -9.100
137. SiH3(7) + Si3H8(12) ⇔ SiH4(3) + H7Si3(36) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+8.8+9.3+9.7
Arrhenius(A=(5400,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -3.90
S298 (cal/mol*K) = 0.04
G298 (kcal/mol) = -3.91
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); Si3H8(12), H7Si3(36); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 18 SiH3(7)+Si3H8(12)=SiH4(3)+H7Si3(36) 5.400e+03 3.580 -1.503
143. Si2H6(4) + H7Si3(36) ⇔ Si2H5(8) + Si3H8(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), Si2H5(8); H7Si3(36), Si3H8(12); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H7Si3(36)=Si2H5(8)+Si3H8(12) 3.507e+03 3.620 -0.129
172. SiH3(7) + H7Si3(36) ⇔ H10Si4(33) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -73.61
S298 (cal/mol*K) = -39.96
G298 (kcal/mol) = -61.70
! Template reaction: R_Recombination ! Flux pairs: H7Si3(36), H10Si4(33); SiH3(7), H10Si4(33); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) SiH3(7)+H7Si3(36)=H10Si4(33) 7.206e+12 0.101 -0.195
191. Si2H6(4) + SiH(15) ⇔ H7Si3(36) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -39.36
S298 (cal/mol*K) = -30.57
G298 (kcal/mol) = -30.26
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H7Si3(36); SiH(15), H7Si3(36); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si2H6(4)+SiH(15)=H7Si3(36) 1.116e+15 0.000 -0.454
212. SiH2(5) + H7Si3(36) ⇔ Si3H8(12) + SiH(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.27
S298 (cal/mol*K) = -5.22
G298 (kcal/mol) = -7.72
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); SiH2(5), SiH(15); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H7Si3(36)=Si3H8(12)+SiH(15) 7.792e+02 3.620 -0.129
27. SiH3(7) + H3Si2(23) ⇔ H6Si3(2) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -58.58
S298 (cal/mol*K) = -40.52
G298 (kcal/mol) = -46.51
! Template reaction: R_Recombination ! Flux pairs: H3Si2(23), H6Si3(2); SiH3(7), H6Si3(2); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) SiH3(7)+H3Si2(23)=H6Si3(2) 7.206e+12 0.101 -0.195
46. H2(11) + H3Si2(23) ⇔ Si2H5(8) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -43.70
S298 (cal/mol*K) = -33.07
G298 (kcal/mol) = -33.85
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), Si2H5(8); H3Si2(23), Si2H5(8); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H3Si2(23)=Si2H5(8) 7.600e+12 0.000 0.800
70. SiH3SiH(6) + SiH3(7) ⇔ SiH4(3) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -2.72
G298 (kcal/mol) = -15.84
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); SiH3(7), SiH4(3); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+SiH3(7)=SiH4(3)+H3Si2(23) 2.700e+03 3.580 -1.503
73. SiH3SiH(6) + Si2H5(8) ⇔ Si2H6(4) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.76
G298 (kcal/mol) = -11.93
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); Si2H5(8), Si2H6(4); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+Si2H5(8)=Si2H6(4)+H3Si2(23) 1.753e+03 3.620 -0.129
193. SiH3SiH(6) + SiH(15) ⇔ SiH2(5) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.1-1.9-1.2-0.8
Arrhenius(A=(1.8e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_doublet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 2.46
G298 (kcal/mol) = -4.21
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); SiH(15), SiH2(5); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_doublet) ! Multiplied by reaction path degeneracy 18 SiH3SiH(6)+SiH(15)=SiH2(5)+H3Si2(23) 1.800e+06 0.000 10.000
250. SiH4(3) + H3Si2(23) ⇔ H7Si3(36) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(2.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -35.04
S298 (cal/mol*K) = -36.93
G298 (kcal/mol) = -24.03
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H7Si3(36); H3Si2(23), H7Si3(36); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+H3Si2(23)=H7Si3(36) 2.400e+10 0.000 -9.100
258. SiH3SiH(6) + H7Si3(36) ⇔ Si3H8(12) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.76
G298 (kcal/mol) = -11.93
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H7Si3(36), Si3H8(12); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H7Si3(36)=Si3H8(12)+H3Si2(23) 1.753e+03 3.620 -0.129
161. SiH2(5) + H6Si3(27) ⇔ H8Si4(69) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -57.35
S298 (cal/mol*K) = -37.31
G298 (kcal/mol) = -46.23
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H8Si4(69); H6Si3(27), H8Si4(69); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(5)+H6Si3(27)=H8Si4(69) 4.626e+11 0.000 -9.392
239. H8Si4(60) ⇔ H8Si4(69) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.4+11.6+12.0+12.2
Arrhenius(A=(6.02e+12,'1/s'), n=0, Ea=(5.5,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 6 SiH3SiSi2H5 <=> SiH3Si2H2SiH3 in Silylene_to_Silene/training""")
H298 (kcal/mol) = -11.57
S298 (cal/mol*K) = -2.75
G298 (kcal/mol) = -10.75
! Template reaction: Silylene_to_Silene ! Flux pairs: H8Si4(60), H8Si4(69); ! Matched reaction 6 SiH3SiSi2H5 <=> SiH3Si2H2SiH3 in Silylene_to_Silene/training H8Si4(60)=H8Si4(69) 6.020e+12 0.000 5.500
345. H3Si2(23) + Si2(43) ⇔ H3Si4(95) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.13
S298 (cal/mol*K) = -6.97
G298 (kcal/mol) = -5.05
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(43), H3Si4(95); H3Si2(23), H3Si4(95); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 H3Si2(23)+Si2(43)=H3Si4(95) 7.440e+14 0.000 -0.454
115. Si2H5(8) + Si2(43) ⇔ H5Si4(55) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -13.04
S298 (cal/mol*K) = -22.74
G298 (kcal/mol) = -6.27
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H5(8), H5Si4(55); Si2(43), H5Si4(55); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 Si2H5(8)+Si2(43)=H5Si4(55) 7.440e+14 0.000 -0.454
397. H3Si4(95) + H2(11) ⇔ H5Si4(55) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -49.62
S298 (cal/mol*K) = -48.84
G298 (kcal/mol) = -35.07
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H5Si4(55); H3Si4(95), H5Si4(55); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H3Si4(95)+H2(11)=H5Si4(55) 7.600e+12 0.000 0.800
55. H6Si3(2) + SiH2(5) ⇔ H8Si4(10) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -54.16
S298 (cal/mol*K) = -34.69
G298 (kcal/mol) = -43.83
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(2), H8Si4(10); SiH2(5), H8Si4(10); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H6Si3(2)+SiH2(5)=H8Si4(10) 9.300e+13 0.000 -0.454
69. SiH3SiH(6) + SiH3SiH(6) ⇔ H8Si4(10) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -52.74
S298 (cal/mol*K) = -43.62
G298 (kcal/mol) = -39.74
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(6), H8Si4(10); SiH3SiH(6), H8Si4(10); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(6)+SiH3SiH(6)=H8Si4(10) 1.800e+10 0.000 -9.100
128. H8Si4(10) ⇔ H8Si4(41) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+10.5+11.1+11.4
Arrhenius(A=(2e+12,'1/s'), n=0, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiHSiH2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.80
S298 (cal/mol*K) = -2.56
G298 (kcal/mol) = -10.04
! Template reaction: Silylene_to_Silene ! Flux pairs: H8Si4(10), H8Si4(41); ! Exact match found for rate rule (SiHSiH2) ! Multiplied by reaction path degeneracy 2 H8Si4(10)=H8Si4(41) 2.000e+12 0.000 8.100
176. H2(11) + H8Si4(10) ⇔ H10Si4(33) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -53.20
S298 (cal/mol*K) = -33.59
G298 (kcal/mol) = -43.19
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H10Si4(33); H8Si4(10), H10Si4(33); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H8Si4(10)=H10Si4(33) 7.600e+12 0.000 0.800
298. SiH(15) + H7Si3(36) ⇔ H8Si4(10) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -64.54
S298 (cal/mol*K) = -33.11
G298 (kcal/mol) = -54.67
! Template reaction: R_Recombination ! Flux pairs: SiH(15), H8Si4(10); H7Si3(36), H8Si4(10); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) SiH(15)+H7Si3(36)=H8Si4(10) 7.206e+12 0.101 -0.195
334. Si2H5(8) + H3Si2(23) ⇔ H8Si4(10) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -56.38
S298 (cal/mol*K) = -42.26
G298 (kcal/mol) = -43.78
! Template reaction: R_Recombination ! Flux pairs: Si2H5(8), H8Si4(10); H3Si2(23), H8Si4(10); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Si2H5(8)+H3Si2(23)=H8Si4(10) 7.206e+12 0.101 -0.195
399. SiH4(3) + HSi3(112) ⇔ H5Si4(55) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.4+9.3+9.2+9.2
Arrhenius(A=(1.488e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -21.65
S298 (cal/mol*K) = -33.78
G298 (kcal/mol) = -11.59
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H5Si4(55); HSi3(112), H5Si4(55); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) ! Multiplied by reaction path degeneracy 8 SiH4(3)+HSi3(112)=H5Si4(55) 1.488e+15 0.000 -0.454
2. cSi4H8(9) ⇔ H8Si4(10) Silicon
T/[K] 500100015002000
log10(k/[mole,m,s]) -2.9+5.6+8.4+9.8
Arrhenius(A=(1.047e+14,'1/s'), n=0, Ea=(38.6,'kcal/mol'), T0=(1,'K'))
H298 (kcal/mol) = 36.82
S298 (cal/mol*K) = 10.42
G298 (kcal/mol) = 33.72
! Library reaction: Silicon ! Flux pairs: cSi4H8(9), H8Si4(10); cSi4H8(9)=H8Si4(10) 1.047e+14 0.000 38.600
59. H6Si3(2) + SiH3(7) ⇔ H9Si4(35) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.96
S298 (cal/mol*K) = -36.33
G298 (kcal/mol) = -43.14
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(2), H9Si4(35); SiH3(7), H9Si4(35); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 3 H6Si3(2)+SiH3(7)=H9Si4(35) 1.800e+10 0.000 -9.100
75. SiH3SiH(6) + Si2H5(8) ⇔ H9Si4(35) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -49.48
S298 (cal/mol*K) = -41.39
G298 (kcal/mol) = -37.15
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(6), H9Si4(35); Si2H5(8), H9Si4(35); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(6)+Si2H5(8)=H9Si4(35) 1.800e+10 0.000 -9.100
178. SiH3(7) + H10Si4(33) ⇔ SiH4(3) + H9Si4(35) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+8.8+9.3+9.7
Arrhenius(A=(5400,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -3.90
S298 (cal/mol*K) = 0.04
G298 (kcal/mol) = -3.91
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H10Si4(33), H9Si4(35); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 18 SiH3(7)+H10Si4(33)=SiH4(3)+H9Si4(35) 5.400e+03 3.580 -1.503
180. Si2H6(4) + H9Si4(35) ⇔ Si2H5(8) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), Si2H5(8); H9Si4(35), H10Si4(33); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H9Si4(35)=Si2H5(8)+H10Si4(33) 3.507e+03 3.620 -0.129
214. Si3H8(12) + SiH(15) ⇔ H9Si4(35) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -44.89
S298 (cal/mol*K) = -29.48
G298 (kcal/mol) = -36.11
! Template reaction: Silylene_Insertion ! Flux pairs: Si3H8(12), H9Si4(35); SiH(15), H9Si4(35); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si3H8(12)+SiH(15)=H9Si4(35) 1.116e+15 0.000 -0.454
228. SiH2(5) + H9Si4(35) ⇔ SiH(15) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.27
S298 (cal/mol*K) = -5.22
G298 (kcal/mol) = -7.72
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); SiH2(5), SiH(15); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H9Si4(35)=SiH(15)+H10Si4(33) 7.792e+02 3.620 -0.129
256. SiH2(5) + H7Si3(36) ⇔ H9Si4(35) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -54.17
S298 (cal/mol*K) = -34.69
G298 (kcal/mol) = -43.83
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H9Si4(35); H7Si3(36), H9Si4(35); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(5)+H7Si3(36)=H9Si4(35) 9.300e+13 0.000 -0.454
289. Si3H8(12) + H9Si4(35) ⇔ H10Si4(33) + H7Si3(36) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); Si3H8(12), H7Si3(36); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si3H8(12)+H9Si4(35)=H10Si4(33)+H7Si3(36) 3.507e+03 3.620 -0.129
319. Si2H6(4) + H3Si2(23) ⇔ H9Si4(35) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+6.5+5.9+5.6
Arrhenius(A=(36000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -36.73
S298 (cal/mol*K) = -38.63
G298 (kcal/mol) = -25.22
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H9Si4(35); H3Si2(23), H9Si4(35); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si2H6(4)+H3Si2(23)=H9Si4(35) 3.600e+10 0.000 -9.100
357. SiH3SiH(6) + H9Si4(35) ⇔ H3Si2(23) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.76
G298 (kcal/mol) = -11.93
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); SiH3SiH(6), H3Si2(23); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H9Si4(35)=H3Si2(23)+H10Si4(33) 1.753e+03 3.620 -0.129
113. SiH3(7) + Si2(43) ⇔ H3Si3(53) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -12.07
S298 (cal/mol*K) = -19.75
G298 (kcal/mol) = -6.18
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3(7), H3Si3(53); Si2(43), H3Si3(53); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 6 SiH3(7)+Si2(43)=H3Si3(53) 1.116e+15 0.000 -0.454
210. SiH(15) + SiH2Si(16) ⇔ H3Si3(53) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -34.59
S298 (cal/mol*K) = -16.74
G298 (kcal/mol) = -29.60
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2Si(16), H3Si3(53); SiH(15), H3Si3(53); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 SiH(15)+SiH2Si(16)=H3Si3(53) 3.720e+14 0.000 -0.454
398. SiH2(5) + H3Si3(53) ⇔ H5Si4(55) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -57.35
S298 (cal/mol*K) = -35.94
G298 (kcal/mol) = -46.64
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si3(53), H5Si4(55); SiH2(5), H5Si4(55); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(5)+H3Si3(53)=H5Si4(55) 4.626e+11 0.000 -9.392
656. H2(11) + HSi3(112) ⇔ H3Si3(53) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+6.6+6.9+7.2
Arrhenius(A=(4.2e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.61
S298 (cal/mol*K) = -29.76
G298 (kcal/mol) = -12.74
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H3Si3(53); HSi3(112), H3Si3(53); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 4 H2(11)+HSi3(112)=H3Si3(53) 4.200e+06 1.970 -0.454
309. H2(11) + HSi2(88) ⇔ H3Si2(23) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -32.83
S298 (cal/mol*K) = -20.66
G298 (kcal/mol) = -26.68
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H3Si2(23); HSi2(88), H3Si2(23); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+HSi2(88)=H3Si2(23) 2.100e+06 1.970 -0.454
390. SiH2Si(16) + HSi2(88) ⇔ H3Si4(95) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -18.35
S298 (cal/mol*K) = 2.14
G298 (kcal/mol) = -18.98
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2Si(16), H3Si4(95); HSi2(88), H3Si4(95); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2Si(16)+HSi2(88)=H3Si4(95) 3.720e+14 0.000 -0.454
774. SiH3(7) + cSi4H8(9) ⇔ SiH4(3) + H7Si4(124) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -6.40
S298 (cal/mol*K) = 2.94
G298 (kcal/mol) = -7.27
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); cSi4H8(9), H7Si4(124); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 16 SiH3(7)+cSi4H8(9)=SiH4(3)+H7Si4(124) 3.117e+03 3.620 -0.129
787. Si2H5(8) + cSi4H8(9) ⇔ Si2H6(4) + H7Si4(124) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = 2.90
G298 (kcal/mol) = -3.36
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); cSi4H8(9), H7Si4(124); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 16 Si2H5(8)+cSi4H8(9)=Si2H6(4)+H7Si4(124) 3.117e+03 3.620 -0.129
850. SiH2(5) + H7Si4(124) ⇔ SiH(15) + cSi4H8(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.77
S298 (cal/mol*K) = -8.11
G298 (kcal/mol) = -4.36
! Template reaction: H_Abstraction ! Flux pairs: SiH2(5), SiH(15); H7Si4(124), cSi4H8(9); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H7Si4(124)=SiH(15)+cSi4H8(9) 7.792e+02 3.620 -0.129
873. H7Si3(36) + cSi4H8(9) ⇔ Si3H8(12) + H7Si4(124) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = 2.90
G298 (kcal/mol) = -3.36
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); cSi4H8(9), H7Si4(124); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 16 H7Si3(36)+cSi4H8(9)=Si3H8(12)+H7Si4(124) 3.117e+03 3.620 -0.129
889. SiH3SiH(6) + H7Si4(124) ⇔ H3Si2(23) + cSi4H8(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -5.66
G298 (kcal/mol) = -8.57
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H7Si4(124), cSi4H8(9); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H7Si4(124)=H3Si2(23)+cSi4H8(9) 1.753e+03 3.620 -0.129
976. H9Si4(35) + cSi4H8(9) ⇔ H10Si4(33) + H7Si4(124) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = 2.90
G298 (kcal/mol) = -3.36
! Template reaction: H_Abstraction ! Flux pairs: cSi4H8(9), H7Si4(124); H9Si4(35), H10Si4(33); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 16 H9Si4(35)+cSi4H8(9)=H10Si4(33)+H7Si4(124) 3.117e+03 3.620 -0.129
733. H2(11) + H6Si4(125) ⇔ cSi4H8(9) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -53.50
S298 (cal/mol*K) = -30.03
G298 (kcal/mol) = -44.55
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), cSi4H8(9); H6Si4(125), cSi4H8(9); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H6Si4(125)=cSi4H8(9) 2.400e+13 0.000 -0.500
322. SiH3SiH(6) + H3Si2(23) ⇔ H7Si4(91) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -52.74
S298 (cal/mol*K) = -44.43
G298 (kcal/mol) = -39.50
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(6), H7Si4(91); H3Si2(23), H7Si4(91); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 SiH3SiH(6)+H3Si2(23)=H7Si4(91) 1.200e+10 0.000 -9.100
641. SiH3(7) + H8Si4(10) ⇔ SiH4(3) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -3.53
G298 (kcal/mol) = -15.60
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H8Si4(10), H7Si4(91); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(7)+H8Si4(10)=SiH4(3)+H7Si4(91) 7.792e+02 3.620 -0.129
649. Si2H5(8) + H8Si4(10) ⇔ Si2H6(4) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H8Si4(10), H7Si4(91); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si2H5(8)+H8Si4(10)=Si2H6(4)+H7Si4(91) 7.792e+02 3.620 -0.129
674. SiH(15) + H8Si4(10) ⇔ SiH2(5) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.5-2.3-1.6-1.2
Arrhenius(A=(800000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 1.65
G298 (kcal/mol) = -3.97
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H8Si4(10), H7Si4(91); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 8 SiH(15)+H8Si4(10)=SiH2(5)+H7Si4(91) 8.000e+05 0.000 10.000
685. H7Si3(36) + H8Si4(10) ⇔ Si3H8(12) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H8Si4(10), H7Si4(91); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(36)+H8Si4(10)=Si3H8(12)+H7Si4(91) 7.792e+02 3.620 -0.129
693. SiH3SiH(6) + H7Si4(91) ⇔ H3Si2(23) + H8Si4(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H7Si4(91), H8Si4(10); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H7Si4(91)=H3Si2(23)+H8Si4(10) 1.753e+03 3.620 -0.129
955. H9Si4(35) + H8Si4(10) ⇔ H10Si4(33) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(91); H9Si4(35), H10Si4(33); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(35)+H8Si4(10)=H10Si4(33)+H7Si4(91) 7.792e+02 3.620 -0.129
1015. Si2H6(4) + HSi2(88) ⇔ H7Si4(91) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -29.12
S298 (cal/mol*K) = -29.26
G298 (kcal/mol) = -20.40
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H7Si4(91); HSi2(88), H7Si4(91); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si2H6(4)+HSi2(88)=H7Si4(91) 1.116e+15 0.000 -0.454
1157. H8Si4(10) + H7Si4(124) ⇔ cSi4H8(9) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -6.46
G298 (kcal/mol) = -8.33
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(91); H7Si4(124), cSi4H8(9); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(10)+H7Si4(124)=cSi4H8(9)+H7Si4(91) 7.792e+02 3.620 -0.129
1204. H6Si4(125) ⇔ H6Si4(160) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.7+11.9+12.3+12.5
Arrhenius(A=(1.204e+13,'1/s'), n=0, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -13.20
S298 (cal/mol*K) = -0.50
G298 (kcal/mol) = -13.05
! Template reaction: Silylene_to_Silene ! Flux pairs: H6Si4(125), H6Si4(160); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 4 H6Si4(125)=H6Si4(160) 1.204e+13 0.000 5.500
1368. H2(11) + H4Si4(169) ⇔ H6Si4(160) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -21.20
S298 (cal/mol*K) = -27.33
G298 (kcal/mol) = -13.05
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H6Si4(160); H4Si4(169), H6Si4(160); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H4Si4(169)=H6Si4(160) 2.400e+13 0.000 -0.500
1408. H2(11) + H2Si4(175) ⇔ H4Si4(169) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.9+7.8+7.8+7.7
Arrhenius(A=(4.8e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -56.10
S298 (cal/mol*K) = -68.99
G298 (kcal/mol) = -35.54
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H4Si4(169); H2Si4(175), H4Si4(169); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 4 H2(11)+H2Si4(175)=H4Si4(169) 4.800e+13 0.000 -0.500
1206. H2(11) + H4Si4(162) ⇔ H6Si4(125) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.9+7.8+7.8+7.7
Arrhenius(A=(4.8e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -29.40
S298 (cal/mol*K) = -33.14
G298 (kcal/mol) = -19.53
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H6Si4(125); H4Si4(162), H6Si4(125); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 4 H2(11)+H4Si4(162)=H6Si4(125) 4.800e+13 0.000 -0.500
1407. H4Si4(162) ⇔ H4Si4(169) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.7+11.9+12.3+12.5
Arrhenius(A=(1.204e+13,'1/s'), n=0, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.40
S298 (cal/mol*K) = -6.30
G298 (kcal/mol) = -19.52
! Template reaction: Silylene_to_Silene ! Flux pairs: H4Si4(162), H4Si4(169); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 4 H4Si4(162)=H4Si4(169) 1.204e+13 0.000 5.500
1459. H2Si4(178) ⇔ H2Si4(175) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+11.4+12.0+12.3
Arrhenius(A=(1.204e+13,'1/s'), n=0, Ea=(31.4218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = 7.51
S298 (cal/mol*K) = 36.13
G298 (kcal/mol) = -3.26
! Template reaction: Silylene_to_Silene ! Flux pairs: H2Si4(178), H2Si4(175); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 4 H2Si4(178)=H2Si4(175) 1.204e+13 0.000 7.510
1461. H2(11) + H2Si4(178) ⇔ H4Si4(162) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.9+7.8+7.8+7.7
Arrhenius(A=(4.8e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -27.19
S298 (cal/mol*K) = -26.56
G298 (kcal/mol) = -19.27
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H4Si4(162); H2Si4(178), H4Si4(162); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 4 H2(11)+H2Si4(178)=H4Si4(162) 4.800e+13 0.000 -0.500
56. H6Si3(2) + SiH3(7) ⇔ SiH4(3) + H5Si3(24) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -3.53
G298 (kcal/mol) = -15.60
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(24); SiH3(7), SiH4(3); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+SiH3(7)=SiH4(3)+H5Si3(24) 7.792e+02 3.620 -0.129
60. H6Si3(2) + Si2H5(8) ⇔ Si2H6(4) + H5Si3(24) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(24); Si2H5(8), Si2H6(4); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+Si2H5(8)=Si2H6(4)+H5Si3(24) 7.792e+02 3.620 -0.129
186. H6Si3(2) + SiH(15) ⇔ SiH2(5) + H5Si3(24) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.5-2.3-1.6-1.2
Arrhenius(A=(800000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 1.65
G298 (kcal/mol) = -3.97
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(24); SiH(15), SiH2(5); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 8 H6Si3(2)+SiH(15)=SiH2(5)+H5Si3(24) 8.000e+05 0.000 10.000
252. H6Si3(2) + H7Si3(36) ⇔ Si3H8(12) + H5Si3(24) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(24); H7Si3(36), Si3H8(12); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H7Si3(36)=Si3H8(12)+H5Si3(24) 7.792e+02 3.620 -0.129
316. SiH3SiH(6) + H5Si3(24) ⇔ H6Si3(2) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); SiH3SiH(6), H3Si2(23); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H5Si3(24)=H6Si3(2)+H3Si2(23) 1.753e+03 3.620 -0.129
320. SiH2(5) + H3Si2(23) ⇔ H5Si3(24) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -51.89
S298 (cal/mol*K) = -38.82
G298 (kcal/mol) = -40.32
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H5Si3(24); H3Si2(23), H5Si3(24); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(5)+H3Si2(23)=H5Si3(24) 4.626e+11 0.000 -9.392
752. H6Si3(2) + H9Si4(35) ⇔ H5Si3(24) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(24); H9Si4(35), H10Si4(33); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H9Si4(35)=H5Si3(24)+H10Si4(33) 7.792e+02 3.620 -0.129
1007. H6Si3(2) + H7Si4(124) ⇔ H5Si3(24) + cSi4H8(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -6.46
G298 (kcal/mol) = -8.33
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(24); H7Si4(124), cSi4H8(9); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H7Si4(124)=H5Si3(24)+cSi4H8(9) 7.792e+02 3.620 -0.129
1012. SiH4(3) + HSi2(88) ⇔ H5Si3(24) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -27.42
S298 (cal/mol*K) = -27.56
G298 (kcal/mol) = -19.21
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H5Si3(24); HSi2(88), H5Si3(24); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+HSi2(88)=H5Si3(24) 7.440e+14 0.000 -0.454
1214. SiH2(5) + H5Si3(24) ⇔ H7Si4(91) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -54.17
S298 (cal/mol*K) = -34.69
G298 (kcal/mol) = -43.83
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si3(24), H7Si4(91); SiH2(5), H7Si4(91); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(5)+H5Si3(24)=H7Si4(91) 9.300e+13 0.000 -0.454
1216. H5Si3(24) + H8Si4(10) ⇔ H6Si3(2) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(3.72529e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); H8Si4(10), H7Si4(91); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(24)+H8Si4(10)=H6Si3(2)+H7Si4(91) 7.792e+02 3.620 0.000
1495. H2(11) + Si4(181) ⇔ H2Si4(178) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.1+8.0
Arrhenius(A=(9.6e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -4.41
S298 (cal/mol*K) = -10.11
G298 (kcal/mol) = -1.40
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H2Si4(178); Si4(181), H2Si4(178); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 8 H2(11)+Si4(181)=H2Si4(178) 9.600e+13 0.000 -0.500
1057. Si2(43) + HSi2(88) ⇔ HSi4(150) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -26.63
S298 (cal/mol*K) = -16.42
G298 (kcal/mol) = -21.74
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(43), HSi4(150); HSi2(88), HSi4(150); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 Si2(43)+HSi2(88)=HSi4(150) 3.720e+14 0.000 -0.454
47. H2(11) + H3Si2(30) ⇔ Si2H5(8) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -41.93
S298 (cal/mol*K) = -29.36
G298 (kcal/mol) = -33.18
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), Si2H5(8); H3Si2(30), Si2H5(8); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H3Si2(30)=Si2H5(8) 2.100e+06 1.970 -0.454
71. SiH3SiH(6) + SiH3(7) ⇔ SiH4(3) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl)""")
H298 (kcal/mol) = -18.43
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = -16.51
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); SiH3(7), SiH4(3); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) SiH3SiH(6)+SiH3(7)=SiH4(3)+H3Si2(30) 1.948e+02 3.620 -0.129
74. SiH3SiH(6) + Si2H5(8) ⇔ Si2H6(4) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); Si2H5(8), Si2H6(4); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) SiH3SiH(6)+Si2H5(8)=Si2H6(4)+H3Si2(30) 1.948e+02 3.620 -0.129
181. SiH3(7) + H3Si2(30) ⇔ H6Si3(57) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -59.22
S298 (cal/mol*K) = -40.62
G298 (kcal/mol) = -47.11
! Template reaction: R_Recombination ! Flux pairs: H3Si2(30), H6Si3(57); SiH3(7), H6Si3(57); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) SiH3(7)+H3Si2(30)=H6Si3(57) 7.206e+12 0.101 -0.195
194. SiH3SiH(6) + SiH(15) ⇔ SiH2(5) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -5.1-2.9-2.2-1.8
Arrhenius(A=(200000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.25
S298 (cal/mol*K) = -1.25
G298 (kcal/mol) = -4.88
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); SiH(15), SiH2(5); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 SiH3SiH(6)+SiH(15)=SiH2(5)+H3Si2(30) 2.000e+05 0.000 10.000
234. Si2H5(8) + H3Si2(30) ⇔ H8Si4(60) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -57.01
S298 (cal/mol*K) = -40.99
G298 (kcal/mol) = -44.80
! Template reaction: R_Recombination ! Flux pairs: H3Si2(30), H8Si4(60); Si2H5(8), H8Si4(60); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Si2H5(8)+H3Si2(30)=H8Si4(60) 7.206e+12 0.101 -0.195
259. SiH3SiH(6) + H7Si3(36) ⇔ Si3H8(12) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H7Si3(36), Si3H8(12); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) SiH3SiH(6)+H7Si3(36)=Si3H8(12)+H3Si2(30) 1.948e+02 3.620 -0.129
321. SiH3SiH(6) + H3Si2(23) ⇔ SiH3SiH(6) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H3Si2(23), SiH3SiH(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) SiH3SiH(6)+H3Si2(23)=SiH3SiH(6)+H3Si2(30) 1.948e+02 3.620 -0.129
401. SiH2Si(16) + H3Si2(30) ⇔ H5Si4(55) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -33.36
S298 (cal/mol*K) = -22.34
G298 (kcal/mol) = -26.70
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2Si(16), H5Si4(55); H3Si2(30), H5Si4(55); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2Si(16)+H3Si2(30)=H5Si4(55) 3.720e+14 0.000 -0.454
769. SiH3SiH(6) + H9Si4(35) ⇔ H3Si2(30) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H9Si4(35), H10Si4(33); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) SiH3SiH(6)+H9Si4(35)=H3Si2(30)+H10Si4(33) 1.948e+02 3.620 -0.129
1023. SiH3SiH(6) + H7Si4(124) ⇔ H3Si2(30) + cSi4H8(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -9.36
G298 (kcal/mol) = -9.24
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H7Si4(124), cSi4H8(9); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H7Si4(124)=H3Si2(30)+cSi4H8(9) 1.948e+02 3.620 -0.129
1047. H2(11) + HSi2(88) ⇔ H3Si2(30) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -34.61
S298 (cal/mol*K) = -24.36
G298 (kcal/mol) = -27.35
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H3Si2(30); HSi2(88), H3Si2(30); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+HSi2(88)=H3Si2(30) 7.600e+12 0.000 0.800
1219. SiH3SiH(6) + H7Si4(91) ⇔ H3Si2(30) + H8Si4(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H7Si4(91), H8Si4(10); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H7Si4(91)=H3Si2(30)+H8Si4(10) 1.948e+02 3.620 -0.129
1504. SiH3SiH(6) + H5Si3(24) ⇔ H6Si3(2) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H5Si3(24), H6Si3(2); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H5Si3(24)=H6Si3(2)+H3Si2(30) 1.948e+02 3.620 -0.129
643. SiH3(7) + H8Si4(10) ⇔ SiH4(3) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl)""")
H298 (kcal/mol) = -18.43
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = -16.51
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H8Si4(10), H7Si4(116); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) SiH3(7)+H8Si4(10)=SiH4(3)+H7Si4(116) 1.948e+02 3.620 -0.129
651. Si2H5(8) + H8Si4(10) ⇔ Si2H6(4) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H8Si4(10), H7Si4(116); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Si2H5(8)+H8Si4(10)=Si2H6(4)+H7Si4(116) 1.948e+02 3.620 -0.129
676. SiH(15) + H8Si4(10) ⇔ SiH2(5) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -5.1-2.9-2.2-1.8
Arrhenius(A=(200000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.25
S298 (cal/mol*K) = -1.25
G298 (kcal/mol) = -4.88
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H8Si4(10), H7Si4(116); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 SiH(15)+H8Si4(10)=SiH2(5)+H7Si4(116) 2.000e+05 0.000 10.000
687. H7Si3(36) + H8Si4(10) ⇔ Si3H8(12) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H8Si4(10), H7Si4(116); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H7Si3(36)+H8Si4(10)=Si3H8(12)+H7Si4(116) 1.948e+02 3.620 -0.129
695. H3Si2(23) + H8Si4(10) ⇔ SiH3SiH(6) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H8Si4(10), H7Si4(116); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H3Si2(23)+H8Si4(10)=SiH3SiH(6)+H7Si4(116) 1.948e+02 3.620 -0.129
742. H2(11) + H7Si4(116) ⇔ H9Si4(35) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -38.67
S298 (cal/mol*K) = -27.13
G298 (kcal/mol) = -30.59
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H9Si4(35); H7Si4(116), H9Si4(35); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H7Si4(116)=H9Si4(35) 2.100e+06 1.970 -0.454
957. H9Si4(35) + H8Si4(10) ⇔ H10Si4(33) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(116); H9Si4(35), H10Si4(33); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H9Si4(35)+H8Si4(10)=H10Si4(33)+H7Si4(116) 1.948e+02 3.620 -0.129
1014. Si2H6(4) + HSi2(88) ⇔ H7Si4(116) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+6.5+5.9+5.6
Arrhenius(A=(36000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -30.89
S298 (cal/mol*K) = -32.16
G298 (kcal/mol) = -21.31
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H7Si4(116); HSi2(88), H7Si4(116); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si2H6(4)+HSi2(88)=H7Si4(116) 3.600e+10 0.000 -9.100
1159. H8Si4(10) + H7Si4(124) ⇔ cSi4H8(9) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -9.36
G298 (kcal/mol) = -9.24
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(116); H7Si4(124), cSi4H8(9); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H8Si4(10)+H7Si4(124)=cSi4H8(9)+H7Si4(116) 1.948e+02 3.620 -0.129
1312. H8Si4(10) + H7Si4(91) ⇔ H8Si4(10) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(116); H7Si4(91), H8Si4(10); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H8Si4(10)+H7Si4(91)=H8Si4(10)+H7Si4(116) 1.948e+02 3.620 -0.129
1585. H5Si3(24) + H8Si4(10) ⇔ H6Si3(2) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(116); H5Si3(24), H6Si3(2); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si3(24)+H8Si4(10)=H6Si3(2)+H7Si4(116) 1.948e+02 3.620 -0.129
1404. H4Si4(169) ⇔ H4Si4(173) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +2.8+7.8+9.4+10.3
Arrhenius(A=(6.02e+12,'1/s'), n=0, Ea=(95.6992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 2 Ea raised from 94.9 to 95.7 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 22.68
S298 (cal/mol*K) = 1.82
G298 (kcal/mol) = 22.14
! Template reaction: Silylene_to_Silene ! Flux pairs: H4Si4(169), H4Si4(173); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 2 ! Ea raised from 94.9 to 95.7 kJ/mol to match endothermicity of reaction. H4Si4(169)=H4Si4(173) 6.020e+12 0.000 22.873
1755. SiH3SiH(6) + H3Si2(30) ⇔ H7Si4(116) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -52.74
S298 (cal/mol*K) = -43.62
G298 (kcal/mol) = -39.74
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(30), H7Si4(116); SiH3SiH(6), H7Si4(116); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(6)+H3Si2(30)=H7Si4(116) 1.800e+10 0.000 -9.100
1769. H3Si2(30) + H8Si4(10) ⇔ SiH3SiH(6) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(0.00297787,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(30), SiH3SiH(6); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H3Si2(30)+H8Si4(10)=SiH3SiH(6)+H7Si4(116) 1.948e+02 3.620 0.001
76. SiH3SiH(6) + Si2H5(8) ⇔ H9Si4(38) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -51.98
S298 (cal/mol*K) = -41.25
G298 (kcal/mol) = -39.69
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(6), H9Si4(38); Si2H5(8), H9Si4(38); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 SiH3SiH(6)+Si2H5(8)=H9Si4(38) 1.200e+10 0.000 -9.100
177. SiH3(7) + H10Si4(33) ⇔ SiH4(3) + H9Si4(38) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.40
S298 (cal/mol*K) = 0.18
G298 (kcal/mol) = -6.45
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H10Si4(33), H9Si4(38); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 8 SiH3(7)+H10Si4(33)=SiH4(3)+H9Si4(38) 1.558e+03 3.620 -0.129
179. Si2H5(8) + H10Si4(33) ⇔ Si2H6(4) + H9Si4(38) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = 0.14
G298 (kcal/mol) = -2.54
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H10Si4(33), H9Si4(38); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 Si2H5(8)+H10Si4(33)=Si2H6(4)+H9Si4(38) 1.558e+03 3.620 -0.129
227. SiH2(5) + H9Si4(38) ⇔ SiH(15) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.77
S298 (cal/mol*K) = -5.36
G298 (kcal/mol) = -5.18
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); SiH2(5), SiH(15); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H9Si4(38)=SiH(15)+H10Si4(33) 7.792e+02 3.620 -0.129
257. SiH2(5) + H7Si3(36) ⇔ H9Si4(38) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.67
S298 (cal/mol*K) = -34.55
G298 (kcal/mol) = -46.37
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H9Si4(38); H7Si3(36), H9Si4(38); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(5)+H7Si3(36)=H9Si4(38) 4.626e+11 0.000 -9.392
288. H10Si4(33) + H7Si3(36) ⇔ Si3H8(12) + H9Si4(38) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = 0.14
G298 (kcal/mol) = -2.54
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(33), H9Si4(38); H7Si3(36), Si3H8(12); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H10Si4(33)+H7Si3(36)=Si3H8(12)+H9Si4(38) 1.558e+03 3.620 -0.129
356. SiH3SiH(6) + H9Si4(38) ⇔ H3Si2(23) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -9.39
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); SiH3SiH(6), H3Si2(23); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H9Si4(38)=H3Si2(23)+H10Si4(33) 1.753e+03 3.620 -0.129
842. H10Si4(33) + H9Si4(35) ⇔ H10Si4(33) + H9Si4(38) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = 0.14
G298 (kcal/mol) = -2.54
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(33), H9Si4(38); H9Si4(35), H10Si4(33); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H10Si4(33)+H9Si4(35)=H10Si4(33)+H9Si4(38) 1.558e+03 3.620 -0.129
1081. cSi4H8(9) + H9Si4(38) ⇔ H10Si4(33) + H7Si4(124) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); cSi4H8(9), H7Si4(124); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 16 cSi4H8(9)+H9Si4(38)=H10Si4(33)+H7Si4(124) 3.117e+03 3.620 -0.129
1236. H2(11) + H7Si4(91) ⇔ H9Si4(38) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -42.95
S298 (cal/mol*K) = -29.89
G298 (kcal/mol) = -34.04
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H9Si4(38); H7Si4(91), H9Si4(38); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H7Si4(91)=H9Si4(38) 7.600e+12 0.000 0.800
1249. H8Si4(10) + H9Si4(38) ⇔ H10Si4(33) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -3.71
G298 (kcal/mol) = -9.15
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H8Si4(10), H7Si4(91); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(10)+H9Si4(38)=H10Si4(33)+H7Si4(91) 7.792e+02 3.620 -0.129
1502. SiH4(3) + H5Si3(24) ⇔ H9Si4(38) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(2.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -39.81
S298 (cal/mol*K) = -32.66
G298 (kcal/mol) = -30.08
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H9Si4(38); H5Si3(24), H9Si4(38); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+H5Si3(24)=H9Si4(38) 2.400e+10 0.000 -9.100
1533. H6Si3(2) + H9Si4(38) ⇔ H5Si3(24) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -3.71
G298 (kcal/mol) = -9.15
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H6Si3(2), H5Si3(24); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H9Si4(38)=H5Si3(24)+H10Si4(33) 7.792e+02 3.620 -0.129
1766. Si2H6(4) + H3Si2(30) ⇔ H9Si4(38) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -37.46
S298 (cal/mol*K) = -34.78
G298 (kcal/mol) = -27.09
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H9Si4(38); H3Si2(30), H9Si4(38); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si2H6(4)+H3Si2(30)=H9Si4(38) 1.116e+15 0.000 -0.454
1818. SiH3SiH(6) + H9Si4(38) ⇔ H3Si2(30) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -6.61
G298 (kcal/mol) = -10.06
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); SiH3SiH(6), H3Si2(30); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H9Si4(38)=H3Si2(30)+H10Si4(33) 1.948e+02 3.620 -0.129
1819. H8Si4(10) + H9Si4(38) ⇔ H10Si4(33) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -6.61
G298 (kcal/mol) = -10.06
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H8Si4(10)+H9Si4(38)=H10Si4(33)+H7Si4(116) 1.948e+02 3.620 -0.129
68. SiH2(5) + Si2H5(8) ⇔ H7Si3(37) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -51.14
S298 (cal/mol*K) = -37.02
G298 (kcal/mol) = -40.11
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H7Si3(37); Si2H5(8), H7Si3(37); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(5)+Si2H5(8)=H7Si3(37) 4.626e+11 0.000 -9.392
136. SiH3(7) + Si3H8(12) ⇔ SiH4(3) + H7Si3(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.40
S298 (cal/mol*K) = -1.20
G298 (kcal/mol) = -6.04
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); Si3H8(12), H7Si3(37); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(7)+Si3H8(12)=SiH4(3)+H7Si3(37) 7.792e+02 3.620 -0.129
142. Si2H5(8) + Si3H8(12) ⇔ Si2H6(4) + H7Si3(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -2.13
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); Si3H8(12), H7Si3(37); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si2H5(8)+Si3H8(12)=Si2H6(4)+H7Si3(37) 7.792e+02 3.620 -0.129
155. SiH3(7) + H7Si3(37) ⇔ H10Si4(63) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -73.63
S298 (cal/mol*K) = -41.48
G298 (kcal/mol) = -61.27
! Template reaction: R_Recombination ! Flux pairs: H7Si3(37), H10Si4(63); SiH3(7), H10Si4(63); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) SiH3(7)+H7Si3(37)=H10Si4(63) 7.206e+12 0.101 -0.195
211. SiH2(5) + H7Si3(37) ⇔ Si3H8(12) + SiH(15) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.77
S298 (cal/mol*K) = -3.98
G298 (kcal/mol) = -5.59
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); SiH2(5), SiH(15); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H7Si3(37)=Si3H8(12)+SiH(15) 7.792e+02 3.620 -0.129
278. Si3H8(12) + H7Si3(36) ⇔ Si3H8(12) + H7Si3(37) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -2.13
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(12), H7Si3(37); H7Si3(36), Si3H8(12); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si3H8(12)+H7Si3(36)=Si3H8(12)+H7Si3(37) 7.792e+02 3.620 -0.129
346. SiH3SiH(6) + H7Si3(37) ⇔ Si3H8(12) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = -9.80
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); SiH3SiH(6), H3Si2(23); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H7Si3(37)=Si3H8(12)+H3Si2(23) 1.753e+03 3.620 -0.129
810. Si3H8(12) + H9Si4(35) ⇔ H7Si3(37) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -2.13
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(12), H7Si3(37); H9Si4(35), H10Si4(33); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si3H8(12)+H9Si4(35)=H7Si3(37)+H10Si4(33) 7.792e+02 3.620 -0.129
1060. H7Si3(37) + cSi4H8(9) ⇔ Si3H8(12) + H7Si4(124) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 4.13
G298 (kcal/mol) = -1.23
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); cSi4H8(9), H7Si4(124); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 16 H7Si3(37)+cSi4H8(9)=Si3H8(12)+H7Si4(124) 3.117e+03 3.620 -0.129
1239. H7Si3(37) + H8Si4(10) ⇔ Si3H8(12) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H8Si4(10), H7Si4(91); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si3(37)+H8Si4(10)=Si3H8(12)+H7Si4(91) 7.792e+02 3.620 -0.129
1520. H2(11) + H5Si3(24) ⇔ H7Si3(37) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -42.95
S298 (cal/mol*K) = -31.26
G298 (kcal/mol) = -33.63
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H7Si3(37); H5Si3(24), H7Si3(37); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H5Si3(24)=H7Si3(37) 7.600e+12 0.000 0.800
1523. H6Si3(2) + H7Si3(37) ⇔ Si3H8(12) + H5Si3(24) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H6Si3(2), H5Si3(24); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H7Si3(37)=Si3H8(12)+H5Si3(24) 7.792e+02 3.620 -0.129
1765. SiH4(3) + H3Si2(30) ⇔ H7Si3(37) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -35.76
S298 (cal/mol*K) = -34.46
G298 (kcal/mol) = -25.49
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H7Si3(37); H3Si2(30), H7Si3(37); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+H3Si2(30)=H7Si3(37) 7.440e+14 0.000 -0.454
1798. SiH3SiH(6) + H7Si3(37) ⇔ Si3H8(12) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); SiH3SiH(6), H3Si2(30); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H7Si3(37)=Si3H8(12)+H3Si2(30) 1.948e+02 3.620 -0.129
1799. H7Si3(37) + H8Si4(10) ⇔ Si3H8(12) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H7Si3(37)+H8Si4(10)=Si3H8(12)+H7Si4(116) 1.948e+02 3.620 -0.129
2023. SiH2(5) + H7Si3(37) ⇔ H9Si4(38) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -54.17
S298 (cal/mol*K) = -33.32
G298 (kcal/mol) = -44.24
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si3(37), H9Si4(38); SiH2(5), H9Si4(38); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 6 SiH2(5)+H7Si3(37)=H9Si4(38) 1.860e+14 0.000 -0.454
2057. H7Si3(37) + H10Si4(33) ⇔ Si3H8(12) + H9Si4(38) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(9.31323e-13,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H10Si4(33), H9Si4(38); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H7Si3(37)+H10Si4(33)=Si3H8(12)+H9Si4(38) 1.558e+03 3.620 0.000
1205. H2(11) + H4Si4(161) ⇔ H6Si4(125) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.9+7.8+7.8+7.7
Arrhenius(A=(4.8e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -53.82
S298 (cal/mol*K) = -31.40
G298 (kcal/mol) = -44.46
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H6Si4(125); H4Si4(161), H6Si4(125); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 4 H2(11)+H4Si4(161)=H6Si4(125) 4.800e+13 0.000 -0.500
1406. H4Si4(161) ⇔ H4Si4(169) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +11.0+12.2+12.6+12.8
Arrhenius(A=(2.408e+13,'1/s'), n=0, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -45.82
S298 (cal/mol*K) = -4.56
G298 (kcal/mol) = -44.46
! Template reaction: Silylene_to_Silene ! Flux pairs: H4Si4(161), H4Si4(169); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 8 H4Si4(161)=H4Si4(169) 2.408e+13 0.000 5.500
1518. H2(11) + H2Si4(178) ⇔ H4Si4(161) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.77
S298 (cal/mol*K) = -28.30
G298 (kcal/mol) = 5.66
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H4Si4(161); H2Si4(178), H4Si4(161); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H2Si4(178)=H4Si4(161) 2.400e+13 0.000 -0.500
58. H6Si3(2) + SiH3(7) ⇔ SiH4(3) + H5Si3(26) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl)""")
H298 (kcal/mol) = -18.43
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = -16.51
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); SiH3(7), SiH4(3); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) H6Si3(2)+SiH3(7)=SiH4(3)+H5Si3(26) 1.948e+02 3.620 -0.129
62. H6Si3(2) + Si2H5(8) ⇔ Si2H6(4) + H5Si3(26) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); Si2H5(8), Si2H6(4); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H6Si3(2)+Si2H5(8)=Si2H6(4)+H5Si3(26) 1.948e+02 3.620 -0.129
188. H6Si3(2) + SiH(15) ⇔ SiH2(5) + H5Si3(26) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -5.1-2.9-2.2-1.8
Arrhenius(A=(200000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.25
S298 (cal/mol*K) = -1.25
G298 (kcal/mol) = -4.88
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); SiH(15), SiH2(5); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 H6Si3(2)+SiH(15)=SiH2(5)+H5Si3(26) 2.000e+05 0.000 10.000
237. SiH3(7) + H5Si3(26) ⇔ H8Si4(60) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -61.49
S298 (cal/mol*K) = -35.92
G298 (kcal/mol) = -50.78
! Template reaction: R_Recombination ! Flux pairs: SiH3(7), H8Si4(60); H5Si3(26), H8Si4(60); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) SiH3(7)+H5Si3(26)=H8Si4(60) 7.206e+12 0.101 -0.195
249. H2(11) + H5Si3(26) ⇔ H7Si3(36) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -38.67
S298 (cal/mol*K) = -27.13
G298 (kcal/mol) = -30.59
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H7Si3(36); H5Si3(26), H7Si3(36); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H5Si3(26)=H7Si3(36) 2.100e+06 1.970 -0.454
254. H6Si3(2) + H7Si3(36) ⇔ Si3H8(12) + H5Si3(26) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H7Si3(36), Si3H8(12); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H6Si3(2)+H7Si3(36)=Si3H8(12)+H5Si3(26) 1.948e+02 3.620 -0.129
318. H6Si3(2) + H3Si2(23) ⇔ SiH3SiH(6) + H5Si3(26) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H3Si2(23), SiH3SiH(6); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H6Si3(2)+H3Si2(23)=SiH3SiH(6)+H5Si3(26) 1.948e+02 3.620 -0.129
754. H6Si3(2) + H9Si4(35) ⇔ H5Si3(26) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H9Si4(35), H10Si4(33); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H6Si3(2)+H9Si4(35)=H5Si3(26)+H10Si4(33) 1.948e+02 3.620 -0.129
1009. H6Si3(2) + H7Si4(124) ⇔ H5Si3(26) + cSi4H8(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -9.36
G298 (kcal/mol) = -9.24
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H7Si4(124), cSi4H8(9); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H7Si4(124)=H5Si3(26)+cSi4H8(9) 1.948e+02 3.620 -0.129
1011. SiH4(3) + HSi2(88) ⇔ H5Si3(26) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(2.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -29.20
S298 (cal/mol*K) = -30.46
G298 (kcal/mol) = -20.12
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H5Si3(26); HSi2(88), H5Si3(26); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+HSi2(88)=H5Si3(26) 2.400e+10 0.000 -9.100
1218. H6Si3(2) + H7Si4(91) ⇔ H5Si3(26) + H8Si4(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H7Si4(91), H8Si4(10); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H7Si4(91)=H5Si3(26)+H8Si4(10) 1.948e+02 3.620 -0.129
1501. H6Si3(2) + H5Si3(24) ⇔ H6Si3(2) + H5Si3(26) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H5Si3(24), H6Si3(2); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H5Si3(24)=H6Si3(2)+H5Si3(26) 1.948e+02 3.620 -0.129
1757. SiH2(5) + H5Si3(26) ⇔ H7Si4(116) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -54.17
S298 (cal/mol*K) = -34.69
G298 (kcal/mol) = -43.83
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si3(26), H7Si4(116); SiH2(5), H7Si4(116); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(5)+H5Si3(26)=H7Si4(116) 9.300e+13 0.000 -0.454
1762. SiH3SiH(6) + H5Si3(26) ⇔ H6Si3(2) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(26), H6Si3(2); SiH3SiH(6), H3Si2(30); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H5Si3(26)=H6Si3(2)+H3Si2(30) 1.948e+02 3.620 -0.129
1764. H5Si3(26) + H8Si4(10) ⇔ H6Si3(2) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(5.47152e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(26), H6Si3(2); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(26)+H8Si4(10)=H6Si3(2)+H7Si4(116) 1.948e+02 3.620 0.000
1767. SiH2(5) + H3Si2(30) ⇔ H5Si3(26) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -51.89
S298 (cal/mol*K) = -38.02
G298 (kcal/mol) = -40.56
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H5Si3(26); H3Si2(30), H5Si3(26); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(5)+H3Si2(30)=H5Si3(26) 9.300e+13 0.000 -0.454
2024. SiH4(3) + H5Si3(26) ⇔ H9Si4(38) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -38.03
S298 (cal/mol*K) = -29.76
G298 (kcal/mol) = -29.17
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H9Si4(38); H5Si3(26), H9Si4(38); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+H5Si3(26)=H9Si4(38) 7.440e+14 0.000 -0.454
2029. H6Si3(2) + H9Si4(38) ⇔ H5Si3(26) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -6.61
G298 (kcal/mol) = -10.06
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H9Si4(38), H10Si4(33); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H9Si4(38)=H5Si3(26)+H10Si4(33) 1.948e+02 3.620 -0.129
2031. H6Si3(2) + H7Si3(37) ⇔ Si3H8(12) + H5Si3(26) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H7Si3(37), Si3H8(12); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H7Si3(37)=Si3H8(12)+H5Si3(26) 1.948e+02 3.620 -0.129
747. H3Si3(128) ⇔ H3Si3(53) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+11.4+11.7+11.9
Arrhenius(A=(2.505e+12,'1/s'), n=0, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH3) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = 1.99
S298 (cal/mol*K) = 17.07
G298 (kcal/mol) = -3.10
! Template reaction: Silylene_to_Silene ! Flux pairs: H3Si3(128), H3Si3(53); ! Exact match found for rate rule (SiSiSiH3) ! Multiplied by reaction path degeneracy 3 H3Si3(128)=H3Si3(53) 2.505e+12 0.000 4.700
1017. SiH2(5) + HSi2(88) ⇔ H3Si3(128) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+7.4+6.7+6.4
Arrhenius(A=(231291,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H)""")
H298 (kcal/mol) = -49.67
S298 (cal/mol*K) = -33.17
G298 (kcal/mol) = -39.78
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H3Si3(128); HSi2(88), H3Si3(128); ! Estimated using an average for rate rule (SiH2;Si_H) SiH2(5)+HSi2(88)=H3Si3(128) 2.313e+11 0.000 -9.392
2308. H2(11) + H3Si3(128) ⇔ H5Si3(26) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -36.83
S298 (cal/mol*K) = -29.21
G298 (kcal/mol) = -28.13
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H5Si3(26); H3Si3(128), H5Si3(26); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H3Si3(128)=H5Si3(26) 2.400e+13 0.000 -0.500
132. SiH4(3) + H4Si3(62) ⇔ H8Si4(41) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(2.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -46.48
S298 (cal/mol*K) = -51.61
G298 (kcal/mol) = -31.10
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H8Si4(41); H4Si3(62), H8Si4(41); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+H4Si3(62)=H8Si4(41) 2.400e+10 0.000 -9.100
153. H4Si3(62) + H2(11) ⇔ H6Si3(27) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -49.62
S298 (cal/mol*K) = -48.84
G298 (kcal/mol) = -35.07
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H6Si3(27); H4Si3(62), H6Si3(27); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H4Si3(62)+H2(11)=H6Si3(27) 7.600e+12 0.000 0.800
755. H4Si3(62) + H5Si3(24) ⇔ H6Si3(2) + H3Si3(53) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); H4Si3(62), H3Si3(53); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H5Si3(24)=H6Si3(2)+H3Si3(53) 1.948e+02 3.620 -0.129
757. H4Si3(62) + H5Si3(26) ⇔ H6Si3(2) + H3Si3(53) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(26), H6Si3(2); H4Si3(62), H3Si3(53); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si3(62)+H5Si3(26)=H6Si3(2)+H3Si3(53) 1.948e+02 3.620 0.000
761. SiH3(7) + H4Si3(62) ⇔ SiH4(3) + H3Si3(53) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl)""")
H298 (kcal/mol) = -18.43
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = -16.51
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H4Si3(62), H3Si3(53); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) SiH3(7)+H4Si3(62)=SiH4(3)+H3Si3(53) 1.948e+02 3.620 -0.129
764. Si2H5(8) + H4Si3(62) ⇔ Si2H6(4) + H3Si3(53) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H4Si3(62), H3Si3(53); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Si2H5(8)+H4Si3(62)=Si2H6(4)+H3Si3(53) 1.948e+02 3.620 -0.129
766. H4Si3(62) + SiH(15) ⇔ SiH2(5) + H3Si3(53) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -5.1-2.9-2.2-1.8
Arrhenius(A=(200000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.25
S298 (cal/mol*K) = -1.25
G298 (kcal/mol) = -4.88
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H4Si3(62), H3Si3(53); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 H4Si3(62)+SiH(15)=SiH2(5)+H3Si3(53) 2.000e+05 0.000 10.000
770. H4Si3(62) + H3Si2(23) ⇔ SiH3SiH(6) + H3Si3(53) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H4Si3(62), H3Si3(53); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(62)+H3Si2(23)=SiH3SiH(6)+H3Si3(53) 1.948e+02 3.620 -0.129
771. H4Si3(62) + H3Si2(30) ⇔ SiH3SiH(6) + H3Si3(53) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(0.00297787,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(30), SiH3SiH(6); H4Si3(62), H3Si3(53); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si3(62)+H3Si2(30)=SiH3SiH(6)+H3Si3(53) 1.948e+02 3.620 0.001
811. H4Si3(62) + H7Si3(37) ⇔ H3Si3(53) + Si3H8(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H4Si3(62), H3Si3(53); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H7Si3(37)=H3Si3(53)+Si3H8(12) 1.948e+02 3.620 -0.129
812. H4Si3(62) + H7Si3(36) ⇔ H3Si3(53) + Si3H8(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H4Si3(62), H3Si3(53); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(62)+H7Si3(36)=H3Si3(53)+Si3H8(12) 1.948e+02 3.620 -0.129
843. H4Si3(62) + H9Si4(38) ⇔ H3Si3(53) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -6.61
G298 (kcal/mol) = -10.06
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H4Si3(62), H3Si3(53); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H9Si4(38)=H3Si3(53)+H10Si4(33) 1.948e+02 3.620 -0.129
844. H4Si3(62) + H9Si4(35) ⇔ H3Si3(53) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H4Si3(62), H3Si3(53); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(62)+H9Si4(35)=H3Si3(53)+H10Si4(33) 1.948e+02 3.620 -0.129
959. H4Si3(62) + H7Si4(91) ⇔ H3Si3(53) + H8Si4(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(10); H4Si3(62), H3Si3(53); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H7Si4(91)=H3Si3(53)+H8Si4(10) 1.948e+02 3.620 -0.129
961. H3Si3(53) + H8Si4(10) ⇔ H4Si3(62) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(3.60887e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(116); H3Si3(53), H4Si3(62); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H3Si3(53)+H8Si4(10)=H4Si3(62)+H7Si4(116) 1.948e+02 3.620 0.000
977. H4Si3(62) + H7Si4(124) ⇔ H3Si3(53) + cSi4H8(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -9.36
G298 (kcal/mol) = -9.24
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H4Si3(62), H3Si3(53); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H7Si4(124)=H3Si3(53)+cSi4H8(9) 1.948e+02 3.620 -0.129
33. H2(11) + H4Si3(28) ⇔ H6Si3(2) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -38.58
S298 (cal/mol*K) = -30.65
G298 (kcal/mol) = -29.45
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H6Si3(2); H4Si3(28), H6Si3(2); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H4Si3(28)=H6Si3(2) 2.400e+13 0.000 -0.500
183. H2(11) + H4Si3(28) ⇔ H6Si3(57) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.99
S298 (cal/mol*K) = -34.46
G298 (kcal/mol) = -30.72
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H6Si3(57); H4Si3(28), H6Si3(57); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H4Si3(28)=H6Si3(57) 7.600e+12 0.000 0.800
243. SiH4(3) + H4Si3(28) ⇔ H8Si4(60) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(2.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -37.85
S298 (cal/mol*K) = -35.86
G298 (kcal/mol) = -27.17
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H8Si4(60); H4Si3(28), H8Si4(60); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+H4Si3(28)=H8Si4(60) 2.400e+10 0.000 -9.100
1026. SiH3(7) + HSi2(88) ⇔ H4Si3(28) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -52.84
S298 (cal/mol*K) = -30.52
G298 (kcal/mol) = -43.74
! Template reaction: R_Recombination ! Flux pairs: SiH3(7), H4Si3(28); HSi2(88), H4Si3(28); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) SiH3(7)+HSi2(88)=H4Si3(28) 7.206e+12 0.101 -0.195
1824. SiH(15) + H3Si2(30) ⇔ H4Si3(28) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -62.36
S298 (cal/mol*K) = -32.91
G298 (kcal/mol) = -52.55
! Template reaction: R_Recombination ! Flux pairs: SiH(15), H4Si3(28); H3Si2(30), H4Si3(28); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) SiH(15)+H3Si2(30)=H4Si3(28) 7.206e+12 0.101 -0.195
2468. H4Si3(28) ⇔ H4Si3(62) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+11.4+11.7+11.9
Arrhenius(A=(2.505e+12,'1/s'), n=0, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH3) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = 0.24
S298 (cal/mol*K) = 15.62
G298 (kcal/mol) = -4.42
! Template reaction: Silylene_to_Silene ! Flux pairs: H4Si3(28), H4Si3(62); ! Exact match found for rate rule (SiSiSiH3) ! Multiplied by reaction path degeneracy 3 H4Si3(28)=H4Si3(62) 2.505e+12 0.000 4.700
2472. H5Si3(24) + H4Si3(28) ⇔ H6Si3(2) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si3(24)+H4Si3(28)=H6Si3(2)+H3Si3(128) 1.948e+02 3.620 -0.129
2474. H5Si3(26) + H4Si3(28) ⇔ H6Si3(2) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(26), H6Si3(2); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si3(26)+H4Si3(28)=H6Si3(2)+H3Si3(128) 1.948e+02 3.620 -0.129
2475. SiH3(7) + H4Si3(28) ⇔ SiH4(3) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl)""")
H298 (kcal/mol) = -20.17
S298 (cal/mol*K) = -7.87
G298 (kcal/mol) = -17.83
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H4Si3(28), H3Si3(128); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) SiH3(7)+H4Si3(28)=SiH4(3)+H3Si3(128) 1.948e+02 3.620 -0.129
2478. Si2H5(8) + H4Si3(28) ⇔ Si2H6(4) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -16.28
S298 (cal/mol*K) = -7.91
G298 (kcal/mol) = -13.92
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H4Si3(28), H3Si3(128); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Si2H5(8)+H4Si3(28)=Si2H6(4)+H3Si3(128) 1.948e+02 3.620 -0.129
2479. SiH(15) + H4Si3(28) ⇔ SiH2(5) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -5.1-2.9-2.2-1.8
Arrhenius(A=(200000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -7.00
S298 (cal/mol*K) = -2.70
G298 (kcal/mol) = -6.20
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H4Si3(28), H3Si3(128); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 SiH(15)+H4Si3(28)=SiH2(5)+H3Si3(128) 2.000e+05 0.000 10.000
2483. H3Si2(23) + H4Si3(28) ⇔ SiH3SiH(6) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.15
G298 (kcal/mol) = -1.99
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H4Si3(28), H3Si3(128); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H3Si2(23)+H4Si3(28)=SiH3SiH(6)+H3Si3(128) 1.948e+02 3.620 -0.129
2484. H4Si3(28) + H3Si2(30) ⇔ SiH3SiH(6) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(30), SiH3SiH(6); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H3Si2(30)=SiH3SiH(6)+H3Si3(128) 1.948e+02 3.620 -0.129
2502. H7Si3(37) + H4Si3(28) ⇔ Si3H8(12) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -13.78
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -11.79
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H7Si3(37)+H4Si3(28)=Si3H8(12)+H3Si3(128) 1.948e+02 3.620 -0.129
2503. H4Si3(28) + H7Si3(36) ⇔ Si3H8(12) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -16.28
S298 (cal/mol*K) = -7.91
G298 (kcal/mol) = -13.92
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H4Si3(28), H3Si3(128); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(28)+H7Si3(36)=Si3H8(12)+H3Si3(128) 1.948e+02 3.620 -0.129
2513. H4Si3(28) + H9Si4(38) ⇔ H10Si4(33) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -13.78
S298 (cal/mol*K) = -8.05
G298 (kcal/mol) = -11.37
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H9Si4(38)=H10Si4(33)+H3Si3(128) 1.948e+02 3.620 -0.129
2514. H4Si3(28) + H9Si4(35) ⇔ H10Si4(33) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -16.28
S298 (cal/mol*K) = -7.91
G298 (kcal/mol) = -13.92
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H4Si3(28), H3Si3(128); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(28)+H9Si4(35)=H10Si4(33)+H3Si3(128) 1.948e+02 3.620 -0.129
2563. H4Si3(28) + H7Si4(91) ⇔ H8Si4(10) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(10); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H7Si4(91)=H8Si4(10)+H3Si3(128) 1.948e+02 3.620 -0.129
2565. H4Si3(28) + H7Si4(116) ⇔ H8Si4(10) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(116), H8Si4(10); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H7Si4(116)=H8Si4(10)+H3Si3(128) 1.948e+02 3.620 -0.129
2571. H4Si3(28) + H7Si4(124) ⇔ cSi4H8(9) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -13.77
S298 (cal/mol*K) = -10.81
G298 (kcal/mol) = -10.55
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H7Si4(124)=cSi4H8(9)+H3Si3(128) 1.948e+02 3.620 -0.129
2659. H3Si3(53) + H4Si3(28) ⇔ H4Si3(62) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(28), H3Si3(128); H3Si3(53), H4Si3(62); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H3Si3(53)+H4Si3(28)=H4Si3(62)+H3Si3(128) 1.948e+02 3.620 -0.129
631. H5Si3(24) + H2Si3(119) ⇔ H6Si3(2) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); H2Si3(119), HSi3(112); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si3(24)+H2Si3(119)=H6Si3(2)+HSi3(112) 1.948e+02 3.620 -0.129
633. H5Si3(26) + H2Si3(119) ⇔ H6Si3(2) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(4.65661e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(26), H6Si3(2); H2Si3(119), HSi3(112); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(26)+H2Si3(119)=H6Si3(2)+HSi3(112) 1.948e+02 3.620 0.000
634. SiH3(7) + H2Si3(119) ⇔ SiH4(3) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl)""")
H298 (kcal/mol) = -18.43
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = -16.51
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H2Si3(119), HSi3(112); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) SiH3(7)+H2Si3(119)=SiH4(3)+HSi3(112) 1.948e+02 3.620 -0.129
635. Si2H5(8) + H2Si3(119) ⇔ Si2H6(4) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H2Si3(119), HSi3(112); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Si2H5(8)+H2Si3(119)=Si2H6(4)+HSi3(112) 1.948e+02 3.620 -0.129
636. SiH(15) + H2Si3(119) ⇔ SiH2(5) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -5.1-2.9-2.2-1.8
Arrhenius(A=(200000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.25
S298 (cal/mol*K) = -1.25
G298 (kcal/mol) = -4.88
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H2Si3(119), HSi3(112); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 SiH(15)+H2Si3(119)=SiH2(5)+HSi3(112) 2.000e+05 0.000 10.000
638. H3Si2(23) + H2Si3(119) ⇔ SiH3SiH(6) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H2Si3(119), HSi3(112); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H3Si2(23)+H2Si3(119)=SiH3SiH(6)+HSi3(112) 1.948e+02 3.620 -0.129
639. H3Si2(30) + H2Si3(119) ⇔ SiH3SiH(6) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(0.00297787,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(30), SiH3SiH(6); H2Si3(119), HSi3(112); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H3Si2(30)+H2Si3(119)=SiH3SiH(6)+HSi3(112) 1.948e+02 3.620 0.001
659. H7Si3(37) + H2Si3(119) ⇔ Si3H8(12) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H2Si3(119), HSi3(112); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H7Si3(37)+H2Si3(119)=Si3H8(12)+HSi3(112) 1.948e+02 3.620 -0.129
660. H7Si3(36) + H2Si3(119) ⇔ Si3H8(12) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H2Si3(119), HSi3(112); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H7Si3(36)+H2Si3(119)=Si3H8(12)+HSi3(112) 1.948e+02 3.620 -0.129
670. H9Si4(38) + H2Si3(119) ⇔ H10Si4(33) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -6.61
G298 (kcal/mol) = -10.06
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H2Si3(119), HSi3(112); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H9Si4(38)+H2Si3(119)=H10Si4(33)+HSi3(112) 1.948e+02 3.620 -0.129
671. H9Si4(35) + H2Si3(119) ⇔ H10Si4(33) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H2Si3(119), HSi3(112); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H9Si4(35)+H2Si3(119)=H10Si4(33)+HSi3(112) 1.948e+02 3.620 -0.129
728. H2Si3(119) + H7Si4(91) ⇔ H8Si4(10) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(10); H2Si3(119), HSi3(112); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si3(119)+H7Si4(91)=H8Si4(10)+HSi3(112) 1.948e+02 3.620 -0.129
730. H2Si3(119) + H7Si4(116) ⇔ H8Si4(10) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(116), H8Si4(10); H2Si3(119), HSi3(112); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si3(119)+H7Si4(116)=H8Si4(10)+HSi3(112) 1.948e+02 3.620 -0.129
966. H2Si3(119) + H7Si4(124) ⇔ cSi4H8(9) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -9.36
G298 (kcal/mol) = -9.24
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H7Si4(124), cSi4H8(9); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si3(119)+H7Si4(124)=cSi4H8(9)+HSi3(112) 1.948e+02 3.620 -0.129
2470. H2(11) + H2Si3(119) ⇔ H4Si3(62) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -21.61
S298 (cal/mol*K) = -29.76
G298 (kcal/mol) = -12.74
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H4Si3(62); H2Si3(119), H4Si3(62); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H2Si3(119)=H4Si3(62) 2.100e+06 1.970 -0.454
2570. H4Si3(62) + HSi3(112) ⇔ H3Si3(53) + H2Si3(119) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: HSi3(112), H2Si3(119); H4Si3(62), H3Si3(53); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+HSi3(112)=H3Si3(53)+H2Si3(119) 1.948e+02 3.620 -0.129
2711. H4Si3(28) + HSi3(112) ⇔ H2Si3(119) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: HSi3(112), H2Si3(119); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+HSi3(112)=H2Si3(119)+H3Si3(128) 1.948e+02 3.620 -0.129
313. H2(11) + H6Si4(90) ⇔ H8Si4(69) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -49.62
S298 (cal/mol*K) = -50.21
G298 (kcal/mol) = -34.66
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H8Si4(69); H6Si4(90), H8Si4(69); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H6Si4(90)=H8Si4(69) 7.600e+12 0.000 0.800
412. H5Si3(24) + H6Si4(90) ⇔ H6Si3(2) + H5Si4(55) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); H6Si4(90), H5Si4(55); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si3(24)+H6Si4(90)=H6Si3(2)+H5Si4(55) 1.948e+02 3.620 -0.129
414. H5Si3(26) + H6Si4(90) ⇔ H6Si3(2) + H5Si4(55) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(5.58794e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(26), H6Si3(2); H6Si4(90), H5Si4(55); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(26)+H6Si4(90)=H6Si3(2)+H5Si4(55) 1.948e+02 3.620 0.000
420. SiH3(7) + H6Si4(90) ⇔ SiH4(3) + H5Si4(55) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl)""")
H298 (kcal/mol) = -18.43
S298 (cal/mol*K) = -6.43
G298 (kcal/mol) = -16.51
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H6Si4(90), H5Si4(55); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) SiH3(7)+H6Si4(90)=SiH4(3)+H5Si4(55) 1.948e+02 3.620 -0.129
424. Si2H5(8) + H6Si4(90) ⇔ Si2H6(4) + H5Si4(55) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H6Si4(90), H5Si4(55); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Si2H5(8)+H6Si4(90)=Si2H6(4)+H5Si4(55) 1.948e+02 3.620 -0.129
428. SiH(15) + H6Si4(90) ⇔ SiH2(5) + H5Si4(55) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -5.1-2.9-2.2-1.8
Arrhenius(A=(200000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.25
S298 (cal/mol*K) = -1.25
G298 (kcal/mol) = -4.88
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H6Si4(90), H5Si4(55); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 SiH(15)+H6Si4(90)=SiH2(5)+H5Si4(55) 2.000e+05 0.000 10.000
434. H3Si2(23) + H6Si4(90) ⇔ SiH3SiH(6) + H5Si4(55) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H6Si4(90), H5Si4(55); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H3Si2(23)+H6Si4(90)=SiH3SiH(6)+H5Si4(55) 1.948e+02 3.620 -0.129
435. H3Si2(30) + H6Si4(90) ⇔ SiH3SiH(6) + H5Si4(55) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(0.00297787,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(30), SiH3SiH(6); H6Si4(90), H5Si4(55); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H3Si2(30)+H6Si4(90)=SiH3SiH(6)+H5Si4(55) 1.948e+02 3.620 0.001
480. H7Si3(37) + H6Si4(90) ⇔ H5Si4(55) + Si3H8(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H6Si4(90), H5Si4(55); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H7Si3(37)+H6Si4(90)=H5Si4(55)+Si3H8(12) 1.948e+02 3.620 -0.129
481. H7Si3(36) + H6Si4(90) ⇔ H5Si4(55) + Si3H8(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H6Si4(90), H5Si4(55); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H7Si3(36)+H6Si4(90)=H5Si4(55)+Si3H8(12) 1.948e+02 3.620 -0.129
524. H9Si4(38) + H6Si4(90) ⇔ H5Si4(55) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -6.61
G298 (kcal/mol) = -10.06
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H6Si4(90), H5Si4(55); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H9Si4(38)+H6Si4(90)=H5Si4(55)+H10Si4(33) 1.948e+02 3.620 -0.129
525. H9Si4(35) + H6Si4(90) ⇔ H5Si4(55) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -14.53
S298 (cal/mol*K) = -6.47
G298 (kcal/mol) = -12.60
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H6Si4(90), H5Si4(55); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H9Si4(35)+H6Si4(90)=H5Si4(55)+H10Si4(33) 1.948e+02 3.620 -0.129
715. H6Si4(90) + H7Si4(91) ⇔ H5Si4(55) + H8Si4(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H7Si4(91), H8Si4(10); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si4(90)+H7Si4(91)=H5Si4(55)+H8Si4(10) 1.948e+02 3.620 -0.129
717. H5Si4(55) + H8Si4(10) ⇔ H7Si4(116) + H6Si4(90) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(55), H6Si4(90); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si4(55)+H8Si4(10)=H7Si4(116)+H6Si4(90) 1.948e+02 3.620 -0.129
931. H6Si4(90) + H7Si4(124) ⇔ H5Si4(55) + cSi4H8(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -9.36
G298 (kcal/mol) = -9.24
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H7Si4(124), cSi4H8(9); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si4(90)+H7Si4(124)=H5Si4(55)+cSi4H8(9) 1.948e+02 3.620 -0.129
2482. SiH2(5) + H4Si3(62) ⇔ H6Si4(90) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -57.35
S298 (cal/mol*K) = -35.94
G298 (kcal/mol) = -46.64
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H6Si4(90); H4Si3(62), H6Si4(90); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(5)+H4Si3(62)=H6Si4(90) 4.626e+11 0.000 -9.392
2558. H4Si3(62) + H5Si4(55) ⇔ H3Si3(53) + H6Si4(90) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(55), H6Si4(90); H4Si3(62), H3Si3(53); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H5Si4(55)=H3Si3(53)+H6Si4(90) 1.948e+02 3.620 -0.129
2672. SiH4(3) + H2Si3(119) ⇔ H6Si4(90) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.65
S298 (cal/mol*K) = -33.78
G298 (kcal/mol) = -11.59
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H6Si4(90); H2Si3(119), H6Si4(90); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+H2Si3(119)=H6Si4(90) 7.440e+14 0.000 -0.454
2703. H5Si4(55) + H4Si3(28) ⇔ H6Si4(90) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(55), H6Si4(90); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si4(55)+H4Si3(28)=H6Si4(90)+H3Si3(128) 1.948e+02 3.620 -0.129
2707. H5Si4(55) + H2Si3(119) ⇔ H6Si4(90) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(55), H6Si4(90); H2Si3(119), HSi3(112); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si4(55)+H2Si3(119)=H6Si4(90)+HSi3(112) 1.948e+02 3.620 -0.129
242. H2(11) + H6Si4(82) ⇔ H8Si4(60) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.99
S298 (cal/mol*K) = -33.09
G298 (kcal/mol) = -31.13
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H8Si4(60); H6Si4(82), H8Si4(60); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H6Si4(82)=H8Si4(60) 7.600e+12 0.000 0.800
624. H2(11) + H6Si4(82) ⇔ H8Si4(10) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -38.58
S298 (cal/mol*K) = -30.65
G298 (kcal/mol) = -29.45
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H8Si4(10); H6Si4(82), H8Si4(10); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H6Si4(82)=H8Si4(10) 2.400e+13 0.000 -0.500
1036. Si2H5(8) + HSi2(88) ⇔ H6Si4(82) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -50.63
S298 (cal/mol*K) = -32.26
G298 (kcal/mol) = -41.01
! Template reaction: R_Recombination ! Flux pairs: Si2H5(8), H6Si4(82); HSi2(88), H6Si4(82); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Si2H5(8)+HSi2(88)=H6Si4(82) 7.206e+12 0.101 -0.195
2340. SiH(15) + H5Si3(26) ⇔ H6Si4(82) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -64.63
S298 (cal/mol*K) = -29.58
G298 (kcal/mol) = -55.81
! Template reaction: R_Recombination ! Flux pairs: SiH(15), H6Si4(82); H5Si3(26), H6Si4(82); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) SiH(15)+H5Si3(26)=H6Si4(82) 7.206e+12 0.101 -0.195
2673. SiH2(5) + H4Si3(28) ⇔ H6Si4(82) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -54.16
S298 (cal/mol*K) = -34.69
G298 (kcal/mol) = -43.83
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H6Si4(82); H4Si3(28), H6Si4(82); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(5)+H4Si3(28)=H6Si4(82) 9.300e+13 0.000 -0.454
2755. H6Si4(82) ⇔ H6Si4(90) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.4+11.6+12.0+12.2
Arrhenius(A=(6.02e+12,'1/s'), n=0, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.94
S298 (cal/mol*K) = 14.38
G298 (kcal/mol) = -7.23
! Template reaction: Silylene_to_Silene ! Flux pairs: H6Si4(82), H6Si4(90); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 2 H6Si4(82)=H6Si4(90) 6.020e+12 0.000 5.500
1055. SiH2Si(16) + HSi2(88) ⇔ H3Si4(149) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -26.63
S298 (cal/mol*K) = -16.42
G298 (kcal/mol) = -21.74
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2Si(16), H3Si4(149); HSi2(88), H3Si4(149); ! Exact match found for rate rule (Si2S;Si_H) SiH2Si(16)+HSi2(88)=H3Si4(149) 1.860e+14 0.000 -0.454
1662. H2(11) + HSi4(150) ⇔ H3Si4(149) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -21.61
S298 (cal/mol*K) = -29.76
G298 (kcal/mol) = -12.74
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H3Si4(149); HSi4(150), H3Si4(149); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+HSi4(150)=H3Si4(149) 2.100e+06 1.970 -0.454
240. H2(11) + H6Si4(80) ⇔ H8Si4(60) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.9+7.8+7.8+7.7
Arrhenius(A=(4.8e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -26.37
S298 (cal/mol*K) = -30.15
G298 (kcal/mol) = -17.39
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H8Si4(60); H6Si4(80), H8Si4(60); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 4 H2(11)+H6Si4(80)=H8Si4(60) 4.800e+13 0.000 -0.500
2006. H3Si2(30) + H3Si2(30) ⇔ H6Si4(80) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -72.57
S298 (cal/mol*K) = -40.20
G298 (kcal/mol) = -60.59
! Template reaction: R_Recombination ! Flux pairs: H3Si2(30), H6Si4(80); H3Si2(30), H6Si4(80); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H3Si2(30)+H3Si2(30)=H6Si4(80) 7.206e+12 0.101 -0.195
2487. SiH3(7) + H3Si3(128) ⇔ H6Si4(80) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -71.95
S298 (cal/mol*K) = -34.98
G298 (kcal/mol) = -61.53
! Template reaction: R_Recombination ! Flux pairs: SiH3(7), H6Si4(80); H3Si3(128), H6Si4(80); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) SiH3(7)+H3Si3(128)=H6Si4(80) 7.206e+12 0.101 -0.195
2674. SiH2(5) + H4Si3(28) ⇔ H6Si4(80) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+7.4+6.7+6.4
Arrhenius(A=(231291,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H)""")
H298 (kcal/mol) = -68.78
S298 (cal/mol*K) = -37.63
G298 (kcal/mol) = -57.57
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(5), H6Si4(80); H4Si3(28), H6Si4(80); ! Estimated using an average for rate rule (SiH2;Si_H) SiH2(5)+H4Si3(28)=H6Si4(80) 2.313e+11 0.000 -9.392
1663. H2(11) + HSi4(150) ⇔ H3Si4(190) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -38.45
S298 (cal/mol*K) = -25.59
G298 (kcal/mol) = -30.82
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H3Si4(190); HSi4(150), H3Si4(190); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+HSi4(150)=H3Si4(190) 2.100e+06 1.970 -0.454
129. H6Si4(61) + H2(11) ⇔ H8Si4(41) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -47.55
S298 (cal/mol*K) = -48.57
G298 (kcal/mol) = -33.08
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H8Si4(41); H6Si4(61), H8Si4(41); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H6Si4(61)+H2(11)=H8Si4(41) 2.400e+13 0.000 -0.500
783. SiH3(7) + H3Si3(53) ⇔ H6Si4(61) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -61.15
S298 (cal/mol*K) = -33.75
G298 (kcal/mol) = -51.09
! Template reaction: R_Recombination ! Flux pairs: SiH3(7), H6Si4(61); H3Si3(53), H6Si4(61); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) SiH3(7)+H3Si3(53)=H6Si4(61) 7.206e+12 0.101 -0.195
3084. H6Si4(80) ⇔ H6Si4(61) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+9.9+10.8+11.3
Arrhenius(A=(5.01e+12,'1/s'), n=0, Ea=(53.5134,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH3) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = 12.79
S298 (cal/mol*K) = 18.30
G298 (kcal/mol) = 7.34
! Template reaction: Silylene_to_Silene ! Flux pairs: H6Si4(80), H6Si4(61); ! Exact match found for rate rule (SiSiSiH3) ! Multiplied by reaction path degeneracy 6 H6Si4(80)=H6Si4(61) 5.010e+12 0.000 12.790
108. H4Si2(13) + SiH2Si(16) ⇔ H6Si4(50) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -29.53
S298 (cal/mol*K) = -35.89
G298 (kcal/mol) = -18.83
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si2(13), H6Si4(50); SiH2Si(16), H6Si4(50); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 H4Si2(13)+SiH2Si(16)=H6Si4(50) 7.440e+14 0.000 -0.454
3285. H6Si4(61) ⇔ H6Si4(50) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+11.4+11.7+11.9
Arrhenius(A=(2.505e+12,'1/s'), n=0, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH3) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -5.15
S298 (cal/mol*K) = -20.29
G298 (kcal/mol) = 0.90
! Template reaction: Silylene_to_Silene ! Flux pairs: H6Si4(61), H6Si4(50); ! Exact match found for rate rule (SiSiSiH3) ! Multiplied by reaction path degeneracy 3 H6Si4(61)=H6Si4(50) 2.505e+12 0.000 4.700
646. SiH3(7) + HSi3(112) ⇔ H4Si4(121) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -61.15
S298 (cal/mol*K) = -33.75
G298 (kcal/mol) = -51.09
! Template reaction: R_Recombination ! Flux pairs: SiH3(7), H4Si4(121); HSi3(112), H4Si4(121); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) SiH3(7)+HSi3(112)=H4Si4(121) 7.206e+12 0.101 -0.195
3091. H5Si3(24) + H4Si4(121) ⇔ H6Si3(2) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(5.58794e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(24)+H4Si4(121)=H6Si3(2)+H3Si4(190) 1.753e+03 3.620 0.000
3093. H6Si3(2) + H3Si4(190) ⇔ H5Si3(26) + H4Si4(121) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H6Si3(2)+H3Si4(190)=H5Si3(26)+H4Si4(121) 1.948e+02 3.620 -0.129
3094. SiH3(7) + H4Si4(121) ⇔ SiH4(3) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -2.72
G298 (kcal/mol) = -15.84
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H4Si4(121), H3Si4(190); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 SiH3(7)+H4Si4(121)=SiH4(3)+H3Si4(190) 2.700e+03 3.580 -1.503
3095. Si2H5(8) + H4Si4(121) ⇔ Si2H6(4) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.76
G298 (kcal/mol) = -11.93
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 Si2H5(8)+H4Si4(121)=Si2H6(4)+H3Si4(190) 1.753e+03 3.620 -0.129
3096. SiH(15) + H4Si4(121) ⇔ SiH2(5) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.1-1.9-1.2-0.8
Arrhenius(A=(1.8e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_doublet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 2.46
G298 (kcal/mol) = -4.21
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H4Si4(121), H3Si4(190); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_doublet) ! Multiplied by reaction path degeneracy 18 SiH(15)+H4Si4(121)=SiH2(5)+H3Si4(190) 1.800e+06 0.000 10.000
3097. H3Si2(23) + H4Si4(121) ⇔ SiH3SiH(6) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H3Si2(23)+H4Si4(121)=SiH3SiH(6)+H3Si4(190) 1.753e+03 3.620 0.001
3098. SiH3SiH(6) + H3Si4(190) ⇔ H3Si2(30) + H4Si4(121) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) SiH3SiH(6)+H3Si4(190)=H3Si2(30)+H4Si4(121) 1.948e+02 3.620 -0.129
3113. H7Si3(37) + H4Si4(121) ⇔ Si3H8(12) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = -9.80
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H7Si3(37)+H4Si4(121)=Si3H8(12)+H3Si4(190) 1.753e+03 3.620 -0.129
3114. H7Si3(36) + H4Si4(121) ⇔ Si3H8(12) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.76
G298 (kcal/mol) = -11.93
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H7Si3(36)+H4Si4(121)=Si3H8(12)+H3Si4(190) 1.753e+03 3.620 -0.129
3124. H9Si4(38) + H4Si4(121) ⇔ H10Si4(33) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -9.39
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H9Si4(38)+H4Si4(121)=H10Si4(33)+H3Si4(190) 1.753e+03 3.620 -0.129
3125. H9Si4(35) + H4Si4(121) ⇔ H10Si4(33) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.76
G298 (kcal/mol) = -11.93
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H9Si4(35)+H4Si4(121)=H10Si4(33)+H3Si4(190) 1.753e+03 3.620 -0.129
3166. H4Si4(121) + H7Si4(91) ⇔ H8Si4(10) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(10); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si4(121)+H7Si4(91)=H8Si4(10)+H3Si4(190) 1.753e+03 3.620 0.000
3168. H8Si4(10) + H3Si4(190) ⇔ H7Si4(116) + H4Si4(121) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(116); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H8Si4(10)+H3Si4(190)=H7Si4(116)+H4Si4(121) 1.948e+02 3.620 -0.129
3173. H4Si4(121) + H7Si4(124) ⇔ cSi4H8(9) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -5.66
G298 (kcal/mol) = -8.57
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H4Si4(121)+H7Si4(124)=cSi4H8(9)+H3Si4(190) 1.753e+03 3.620 -0.129
3261. H4Si3(62) + H3Si4(190) ⇔ H3Si3(53) + H4Si4(121) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(62)+H3Si4(190)=H3Si3(53)+H4Si4(121) 1.948e+02 3.620 -0.129
3263. H4Si3(28) + H3Si4(190) ⇔ H4Si4(121) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.15
G298 (kcal/mol) = -1.99
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(28), H3Si3(128); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(28)+H3Si4(190)=H4Si4(121)+H3Si3(128) 1.948e+02 3.620 -0.129
3265. H2Si3(119) + H3Si4(190) ⇔ H4Si4(121) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H2Si3(119)+H3Si4(190)=H4Si4(121)+HSi3(112) 1.948e+02 3.620 -0.129
3269. H6Si4(90) + H3Si4(190) ⇔ H5Si4(55) + H4Si4(121) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H6Si4(90)+H3Si4(190)=H5Si4(55)+H4Si4(121) 1.948e+02 3.620 -0.129
3289. H2(11) + H4Si4(121) ⇔ H6Si4(61) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -21.61
S298 (cal/mol*K) = -29.76
G298 (kcal/mol) = -12.74
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H6Si4(61); H4Si4(121), H6Si4(61); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H4Si4(121)=H6Si4(61) 2.100e+06 1.970 -0.454
2874. H2(11) + H3Si4(149) ⇔ H5Si4(220) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -38.45
S298 (cal/mol*K) = -25.59
G298 (kcal/mol) = -30.82
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H5Si4(220); H3Si4(149), H5Si4(220); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H3Si4(149)=H5Si4(220) 2.100e+06 1.970 -0.454
3110. H2(11) + H3Si4(190) ⇔ H5Si4(220) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+6.3+6.6+6.9
Arrhenius(A=(2.1e+06,'cm^3/(mol*s)'), n=1.97, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si2S;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -21.61
S298 (cal/mol*K) = -29.76
G298 (kcal/mol) = -12.74
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H5Si4(220); H3Si4(190), H5Si4(220); ! Exact match found for rate rule (Si2S;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H3Si4(190)=H5Si4(220) 2.100e+06 1.970 -0.454
3290. SiH3(7) + H6Si4(61) ⇔ SiH4(3) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -2.72
G298 (kcal/mol) = -15.84
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H6Si4(61), H5Si4(220); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 SiH3(7)+H6Si4(61)=SiH4(3)+H5Si4(220) 2.700e+03 3.580 -1.503
3293. Si2H5(8) + H6Si4(61) ⇔ Si2H6(4) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.76
G298 (kcal/mol) = -11.93
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 Si2H5(8)+H6Si4(61)=Si2H6(4)+H5Si4(220) 1.753e+03 3.620 -0.129
3296. H6Si4(61) + SiH(15) ⇔ SiH2(5) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.1-1.9-1.2-0.8
Arrhenius(A=(1.8e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_doublet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 2.46
G298 (kcal/mol) = -4.21
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H6Si4(61), H5Si4(220); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_doublet) ! Multiplied by reaction path degeneracy 18 H6Si4(61)+SiH(15)=SiH2(5)+H5Si4(220) 1.800e+06 0.000 10.000
3299. H6Si4(61) + H7Si3(36) ⇔ Si3H8(12) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.76
G298 (kcal/mol) = -11.93
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H7Si3(36)=Si3H8(12)+H5Si4(220) 1.753e+03 3.620 -0.129
3302. H6Si4(61) + H3Si2(23) ⇔ SiH3SiH(6) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si4(61)+H3Si2(23)=SiH3SiH(6)+H5Si4(220) 1.753e+03 3.620 0.001
3311. H5Si4(220) + H6Si4(90) ⇔ H5Si4(55) + H6Si4(61) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H5Si4(220)+H6Si4(90)=H5Si4(55)+H6Si4(61) 1.948e+02 3.620 -0.129
3317. H2Si3(119) + H5Si4(220) ⇔ H6Si4(61) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H2Si3(119)+H5Si4(220)=H6Si4(61)+HSi3(112) 1.948e+02 3.620 -0.129
3320. H6Si4(61) + H9Si4(35) ⇔ H10Si4(33) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.76
G298 (kcal/mol) = -11.93
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H9Si4(35)=H10Si4(33)+H5Si4(220) 1.753e+03 3.620 -0.129
3323. H4Si3(62) + H5Si4(220) ⇔ H3Si3(53) + H6Si4(61) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(62)+H5Si4(220)=H3Si3(53)+H6Si4(61) 1.948e+02 3.620 -0.129
3332. H6Si4(61) + H7Si4(124) ⇔ cSi4H8(9) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -5.66
G298 (kcal/mol) = -8.57
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H7Si4(124)=cSi4H8(9)+H5Si4(220) 1.753e+03 3.620 -0.129
3335. H6Si4(61) + H7Si4(91) ⇔ H8Si4(10) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(10); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H7Si4(91)=H8Si4(10)+H5Si4(220) 1.753e+03 3.620 -0.129
3338. H6Si4(61) + H5Si3(24) ⇔ H6Si3(2) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si4(61)+H5Si3(24)=H6Si3(2)+H5Si4(220) 1.753e+03 3.620 0.000
3344. SiH3SiH(6) + H5Si4(220) ⇔ H6Si4(61) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) SiH3SiH(6)+H5Si4(220)=H6Si4(61)+H3Si2(30) 1.948e+02 3.620 -0.129
3347. H8Si4(10) + H5Si4(220) ⇔ H6Si4(61) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(116); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H8Si4(10)+H5Si4(220)=H6Si4(61)+H7Si4(116) 1.948e+02 3.620 -0.129
3350. H6Si4(61) + H9Si4(38) ⇔ H10Si4(33) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -9.39
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H9Si4(38)=H10Si4(33)+H5Si4(220) 1.753e+03 3.620 -0.129
3353. H6Si4(61) + H7Si3(37) ⇔ Si3H8(12) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = -9.80
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H7Si3(37)=Si3H8(12)+H5Si4(220) 1.753e+03 3.620 -0.129
3356. H6Si3(2) + H5Si4(220) ⇔ H6Si4(61) + H5Si3(26) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -3.70
G298 (kcal/mol) = -0.67
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H6Si3(2)+H5Si4(220)=H6Si4(61)+H5Si3(26) 1.948e+02 3.620 -0.129
3359. H4Si3(28) + H5Si4(220) ⇔ H6Si4(61) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.15
G298 (kcal/mol) = -1.99
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(28), H3Si3(128); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(28)+H5Si4(220)=H6Si4(61)+H3Si3(128) 1.948e+02 3.620 -0.129
3365. H4Si4(121) + H5Si4(220) ⇔ H6Si4(61) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(3.72529e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(121), H3Si4(190); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si4(121)+H5Si4(220)=H6Si4(61)+H3Si4(190) 1.753e+03 3.620 0.000
679. SiH(15) + HSi3(112) ⇔ H2Si4(122) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -63.31
S298 (cal/mol*K) = -29.75
G298 (kcal/mol) = -54.44
! Template reaction: R_Recombination ! Flux pairs: SiH(15), H2Si4(122); HSi3(112), H2Si4(122); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) SiH(15)+HSi3(112)=H2Si4(122) 7.206e+12 0.101 -0.195
1647. H5Si3(24) + H2Si4(122) ⇔ H6Si3(2) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si3(24)+H2Si4(122)=H6Si3(2)+HSi4(150) 1.948e+02 3.620 -0.129
1649. H5Si3(26) + H2Si4(122) ⇔ H6Si3(2) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(26), H6Si3(2); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si3(26)+H2Si4(122)=H6Si3(2)+HSi4(150) 1.948e+02 3.620 -0.129
1650. SiH3(7) + H2Si4(122) ⇔ SiH4(3) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl)""")
H298 (kcal/mol) = -20.17
S298 (cal/mol*K) = -7.87
G298 (kcal/mol) = -17.83
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H2Si4(122), HSi4(150); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) SiH3(7)+H2Si4(122)=SiH4(3)+HSi4(150) 1.948e+02 3.620 -0.129
1651. Si2H5(8) + H2Si4(122) ⇔ Si2H6(4) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -16.28
S298 (cal/mol*K) = -7.91
G298 (kcal/mol) = -13.92
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H2Si4(122), HSi4(150); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Si2H5(8)+H2Si4(122)=Si2H6(4)+HSi4(150) 1.948e+02 3.620 -0.129
1652. SiH(15) + H2Si4(122) ⇔ SiH2(5) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -5.1-2.9-2.2-1.8
Arrhenius(A=(200000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -7.00
S298 (cal/mol*K) = -2.70
G298 (kcal/mol) = -6.20
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H2Si4(122), HSi4(150); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 2 SiH(15)+H2Si4(122)=SiH2(5)+HSi4(150) 2.000e+05 0.000 10.000
1653. H3Si2(23) + H2Si4(122) ⇔ SiH3SiH(6) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.15
G298 (kcal/mol) = -1.99
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H2Si4(122), HSi4(150); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H3Si2(23)+H2Si4(122)=SiH3SiH(6)+HSi4(150) 1.948e+02 3.620 -0.129
1654. H3Si2(30) + H2Si4(122) ⇔ SiH3SiH(6) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(30), SiH3SiH(6); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H3Si2(30)+H2Si4(122)=SiH3SiH(6)+HSi4(150) 1.948e+02 3.620 -0.129
1666. H7Si3(37) + H2Si4(122) ⇔ Si3H8(12) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -13.78
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -11.79
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H7Si3(37)+H2Si4(122)=Si3H8(12)+HSi4(150) 1.948e+02 3.620 -0.129
1667. H7Si3(36) + H2Si4(122) ⇔ Si3H8(12) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -16.28
S298 (cal/mol*K) = -7.91
G298 (kcal/mol) = -13.92
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H2Si4(122), HSi4(150); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H7Si3(36)+H2Si4(122)=Si3H8(12)+HSi4(150) 1.948e+02 3.620 -0.129
1677. H9Si4(38) + H2Si4(122) ⇔ H10Si4(33) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -13.78
S298 (cal/mol*K) = -8.05
G298 (kcal/mol) = -11.37
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H9Si4(38)+H2Si4(122)=H10Si4(33)+HSi4(150) 1.948e+02 3.620 -0.129
1678. H9Si4(35) + H2Si4(122) ⇔ H10Si4(33) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -16.28
S298 (cal/mol*K) = -7.91
G298 (kcal/mol) = -13.92
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H2Si4(122), HSi4(150); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H9Si4(35)+H2Si4(122)=H10Si4(33)+HSi4(150) 1.948e+02 3.620 -0.129
1705. H2Si4(122) + H7Si4(91) ⇔ H8Si4(10) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(10); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si4(122)+H7Si4(91)=H8Si4(10)+HSi4(150) 1.948e+02 3.620 -0.129
1707. H7Si4(116) + H2Si4(122) ⇔ H8Si4(10) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(116), H8Si4(10); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H7Si4(116)+H2Si4(122)=H8Si4(10)+HSi4(150) 1.948e+02 3.620 -0.129
1710. H2Si4(122) + H7Si4(124) ⇔ cSi4H8(9) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -13.78
S298 (cal/mol*K) = -10.81
G298 (kcal/mol) = -10.55
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si4(122)+H7Si4(124)=cSi4H8(9)+HSi4(150) 1.948e+02 3.620 -0.129
2626. H3Si3(53) + H2Si4(122) ⇔ H4Si3(62) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(122), HSi4(150); H3Si3(53), H4Si3(62); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H3Si3(53)+H2Si4(122)=H4Si3(62)+HSi4(150) 1.948e+02 3.620 -0.129
2732. H2Si4(122) + H3Si3(128) ⇔ H4Si3(28) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.1+7.8+8.2
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(3.72529e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(122), HSi4(150); H3Si3(128), H4Si3(28); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si4(122)+H3Si3(128)=H4Si3(28)+HSi4(150) 1.948e+02 3.620 0.000
2734. H2Si4(122) + HSi3(112) ⇔ H2Si3(119) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(122), HSi4(150); HSi3(112), H2Si3(119); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si4(122)+HSi3(112)=H2Si3(119)+HSi4(150) 1.948e+02 3.620 -0.129
2816. H5Si4(55) + H2Si4(122) ⇔ H6Si4(90) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -1.45
G298 (kcal/mol) = -1.32
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(122), HSi4(150); H5Si4(55), H6Si4(90); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H5Si4(55)+H2Si4(122)=H6Si4(90)+HSi4(150) 1.948e+02 3.620 -0.129
3341. H2Si4(122) + H5Si4(220) ⇔ H6Si4(61) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.15
G298 (kcal/mol) = -1.99
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(122), HSi4(150); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H2Si4(122)+H5Si4(220)=H6Si4(61)+HSi4(150) 1.948e+02 3.620 -0.129
3431. H2(11) + H2Si4(122) ⇔ H4Si4(121) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -41.97
S298 (cal/mol*K) = -30.75
G298 (kcal/mol) = -32.81
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H4Si4(121); H2Si4(122), H4Si4(121); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H2Si4(122)=H4Si4(121) 7.600e+12 0.000 0.800
3578. H2Si4(122) + H3Si4(190) ⇔ H4Si4(121) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.15
G298 (kcal/mol) = -1.99
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(122), HSi4(150); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H2Si4(122)+H3Si4(190)=H4Si4(121)+HSi4(150) 1.948e+02 3.620 -0.129
2687. SiH(15) + H4Si3(28) ⇔ H5Si4(212) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -72.26
S298 (cal/mol*K) = -33.80
G298 (kcal/mol) = -62.19
! Template reaction: Silylene_Insertion ! Flux pairs: SiH(15), H5Si4(212); H4Si3(28), H5Si4(212); ! Exact match found for rate rule (Si2S;Si_H) SiH(15)+H4Si3(28)=H5Si4(212) 1.860e+14 0.000 -0.454
3099. SiH3(7) + H6Si4(80) ⇔ SiH4(3) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+8.8+9.3+9.7
Arrhenius(A=(5400,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -16.25
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H6Si4(80), H5Si4(212); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 18 SiH3(7)+H6Si4(80)=SiH4(3)+H5Si4(212) 5.400e+03 3.580 -1.503
3103. Si2H5(8) + H6Si4(80) ⇔ Si2H6(4) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -1.38
G298 (kcal/mol) = -12.34
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H5(8)+H6Si4(80)=Si2H6(4)+H5Si4(212) 3.507e+03 3.620 -0.129
3127. SiH(15) + H6Si4(80) ⇔ SiH2(5) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -3.8-1.6-0.9-0.5
Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_doublet) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 3.83
G298 (kcal/mol) = -4.62
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H6Si4(80), H5Si4(212); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_Si_H3;SiH_doublet) ! Multiplied by reaction path degeneracy 36 SiH(15)+H6Si4(80)=SiH2(5)+H5Si4(212) 3.600e+06 0.000 10.000
3134. H7Si3(36) + H6Si4(80) ⇔ Si3H8(12) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -1.38
G298 (kcal/mol) = -12.34
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H7Si3(36)+H6Si4(80)=Si3H8(12)+H5Si4(212) 3.507e+03 3.620 -0.129
3140. H3Si2(23) + H6Si4(80) ⇔ SiH3SiH(6) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H3Si2(23)+H6Si4(80)=SiH3SiH(6)+H5Si4(212) 3.507e+03 3.620 0.001
3156. H6Si4(90) + H5Si4(212) ⇔ H5Si4(55) + H6Si4(80) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -5.08
G298 (kcal/mol) = -0.26
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H5Si4(212), H6Si4(80); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H6Si4(90)+H5Si4(212)=H5Si4(55)+H6Si4(80) 1.948e+02 3.620 -0.129
3169. H2Si3(119) + H5Si4(212) ⇔ H6Si4(80) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -5.08
G298 (kcal/mol) = -0.26
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H5Si4(212), H6Si4(80); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H2Si3(119)+H5Si4(212)=H6Si4(80)+HSi3(112) 1.948e+02 3.620 -0.129
3174. H9Si4(35) + H6Si4(80) ⇔ H10Si4(33) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -1.38
G298 (kcal/mol) = -12.34
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H9Si4(35)+H6Si4(80)=H10Si4(33)+H5Si4(212) 3.507e+03 3.620 -0.129
3181. H4Si3(62) + H5Si4(212) ⇔ H3Si3(53) + H6Si4(80) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -5.08
G298 (kcal/mol) = -0.26
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H5Si4(212), H6Si4(80); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(62)+H5Si4(212)=H3Si3(53)+H6Si4(80) 1.948e+02 3.620 -0.129
3193. H6Si4(80) + H7Si4(124) ⇔ cSi4H8(9) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -8.98
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H7Si4(124)=cSi4H8(9)+H5Si4(212) 3.507e+03 3.620 -0.129
3201. H6Si4(80) + H7Si4(91) ⇔ H8Si4(10) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.18
G298 (kcal/mol) = -0.65
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(10); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H7Si4(91)=H8Si4(10)+H5Si4(212) 3.507e+03 3.620 -0.129
3216. H5Si3(24) + H6Si4(80) ⇔ H6Si3(2) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.18
G298 (kcal/mol) = -0.65
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H5Si3(24)+H6Si4(80)=H6Si3(2)+H5Si4(212) 3.507e+03 3.620 -0.129
3222. H2Si4(122) + H5Si4(212) ⇔ H6Si4(80) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -6.53
G298 (kcal/mol) = -1.58
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(122), HSi4(150); H5Si4(212), H6Si4(80); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H2Si4(122)+H5Si4(212)=H6Si4(80)+HSi4(150) 1.948e+02 3.620 -0.129
3226. SiH3SiH(6) + H5Si4(212) ⇔ H3Si2(30) + H6Si4(80) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -5.08
G298 (kcal/mol) = -0.26
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H5Si4(212), H6Si4(80); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) SiH3SiH(6)+H5Si4(212)=H3Si2(30)+H6Si4(80) 1.948e+02 3.620 -0.129
3230. H8Si4(10) + H5Si4(212) ⇔ H6Si4(80) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -5.08
G298 (kcal/mol) = -0.26
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(116); H5Si4(212), H6Si4(80); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H8Si4(10)+H5Si4(212)=H6Si4(80)+H7Si4(116) 1.948e+02 3.620 -0.129
3237. H9Si4(38) + H6Si4(80) ⇔ H10Si4(33) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = -9.80
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H9Si4(38)+H6Si4(80)=H10Si4(33)+H5Si4(212) 3.507e+03 3.620 -0.129
3244. H7Si3(37) + H6Si4(80) ⇔ Si3H8(12) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -0.15
G298 (kcal/mol) = -10.21
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H7Si3(37)+H6Si4(80)=Si3H8(12)+H5Si4(212) 3.507e+03 3.620 -0.129
3250. H6Si3(2) + H5Si4(212) ⇔ H5Si3(26) + H6Si4(80) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -5.08
G298 (kcal/mol) = -0.26
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(26); H5Si4(212), H6Si4(80); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H6Si3(2)+H5Si4(212)=H5Si3(26)+H6Si4(80) 1.948e+02 3.620 -0.129
3255. H4Si3(28) + H5Si4(212) ⇔ H6Si4(80) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -6.53
G298 (kcal/mol) = -1.58
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(28), H3Si3(128); H5Si4(212), H6Si4(80); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) H4Si3(28)+H5Si4(212)=H6Si4(80)+H3Si3(128) 1.948e+02 3.620 -0.129
3278. H6Si4(80) + H3Si4(190) ⇔ H4Si4(121) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(80), H5Si4(212); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H3Si4(190)=H4Si4(121)+H5Si4(212) 3.507e+03 3.620 -0.129
3436. H5Si4(212) ⇔ H5Si4(220) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.8+9.6+10.5+11.0
Arrhenius(A=(2.505e+12,'1/s'), n=0, Ea=(53.5134,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH3) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = 12.79
S298 (cal/mol*K) = 16.92
G298 (kcal/mol) = 7.75
! Template reaction: Silylene_to_Silene ! Flux pairs: H5Si4(212), H5Si4(220); ! Exact match found for rate rule (SiSiSiH3) ! Multiplied by reaction path degeneracy 3 H5Si4(212)=H5Si4(220) 2.505e+12 0.000 12.790
3640. H6Si4(80) + H5Si4(220) ⇔ H6Si4(61) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(80), H5Si4(212); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H5Si4(220)=H6Si4(61)+H5Si4(212) 3.507e+03 3.620 -0.129
21. H2(11) + Si2H2(19) ⇔ H4Si2(13) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) +8.4+7.6+6.8+6.1
log10(k(10 bar)/[mole,m,s]) +8.6+8.1+7.6+7.1
Troe(arrheniusHigh=Arrhenius(A=(4.59e+14,'cm^3/mol/s'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(5.96e+38,'cm^6/mol^2/s'), n=-6.32, Ea=(4165,'cal/mol'), T0=(1,'K')), alpha=3.6144, T3=(222.59,'K'), T1=(356.22,'K'), T2=(1665.3,'K'), efficiencies={})
H298 (kcal/mol) = -44.23
S298 (cal/mol*K) = -30.19
G298 (kcal/mol) = -35.23
! Library reaction: DolletSi2H4 ! Flux pairs: H2(11), H4Si2(13); Si2H2(19), H4Si2(13); H2(11)+Si2H2(19)(+M)=H4Si2(13)(+M) 4.590e+14 0.000 0.000 LOW/ 5.960e+38 -6.320 4.165 / TROE/ 3.614e+00 223 356 1.67e+03 /
23. SiH2(5) + SiH2(5) ⇔ H2(11) + Si2H2(19) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) +2.9+2.6+2.5+2.3
log10(k(10 bar)/[mole,m,s]) +3.9+3.6+3.5+3.3
Troe(arrheniusHigh=Arrhenius(A=(5.16e+10,'cm^3/mol/s'), n=0.4069, Ea=(-392.32,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(2.8e+13,'cm^6/mol^2/s'), n=0.039, Ea=(32.437,'cal/mol'), T0=(1,'K')), alpha=-0.3829, T3=(459.73,'K'), T1=(316.18,'K'), T2=(342.63,'K'), efficiencies={})
H298 (kcal/mol) = -16.97
S298 (cal/mol*K) = -4.66
G298 (kcal/mol) = -15.58
! Library reaction: DolletSi2H4 ! Flux pairs: SiH2(5), Si2H2(19); SiH2(5), H2(11); SiH2(5)+SiH2(5)(+M)=H2(11)+Si2H2(19)(+M) 5.160e+10 0.407 -0.392 LOW/ 2.800e+13 0.039 0.032 / TROE/ -3.829e-01 460 316 343 /
24. SiH3(7) + SiH(15) ⇔ H2(11) + Si2H2(19) DolletSi2H4
T/[K] 500100015002000
log10(k(1 bar)/[mole,m,s]) +2.6+2.3+2.1+2.0
log10(k(10 bar)/[mole,m,s]) +3.5+3.3+3.1+3.0
Troe(arrheniusHigh=Arrhenius(A=(1.41e+08,'cm^3/mol/s'), n=0.9108, Ea=(-496.46,'cal/mol'), T0=(1,'K')), arrheniusLow=Arrhenius(A=(5.26e+13,'cm^6/mol^2/s'), n=-0.12, Ea=(94.685,'cal/mol'), T0=(1,'K')), alpha=-0.5218, T3=(36.524,'K'), T1=(-22422,'K'), T2=(16.824,'K'), efficiencies={})
H298 (kcal/mol) = -27.13
S298 (cal/mol*K) = -4.70
G298 (kcal/mol) = -25.73
! Library reaction: DolletSi2H4 ! Flux pairs: SiH(15), Si2H2(19); SiH3(7), H2(11); SiH3(7)+SiH(15)(+M)=H2(11)+Si2H2(19)(+M) 1.410e+08 0.911 -0.496 LOW/ 5.260e+13 -0.120 0.095 / TROE/ -5.218e-01 36.5 -2.24e+04 16.8 /
35. SiH4(3) + Si2H2(19) ⇔ H6Si3(2) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.7+6.7+6.0+5.7
Arrhenius(A=(4.8e+10,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -30.95
S298 (cal/mol*K) = -30.53
G298 (kcal/mol) = -21.85
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H6Si3(2); Si2H2(19), H6Si3(2); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 8 SiH4(3)+Si2H2(19)=H6Si3(2) 4.800e+10 0.000 -9.100
43. H2(11) + Si2H2(19) ⇔ SiH3SiH(6) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.8+7.0+7.1+7.1
Arrhenius(A=(1.52e+13,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -36.36
S298 (cal/mol*K) = -24.43
G298 (kcal/mol) = -29.07
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), SiH3SiH(6); Si2H2(19), SiH3SiH(6); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 4 H2(11)+Si2H2(19)=SiH3SiH(6) 1.520e+13 0.000 0.800
96. Si2H2(19) ⇔ SiH2Si(16) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.6+6.9+7.0+7.1
Arrhenius(A=(1.58e+13,'cm^3/(mol*s)'), n=0, Ea=(5.3095,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K'), comment="""Estimated using template (SiRSiH) for rate rule (SiHSiH) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -20.09
S298 (cal/mol*K) = -0.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_to_Silene ! Flux pairs: Si2H2(19), SiH2Si(16); ! Estimated using template (SiRSiH) for rate rule (SiHSiH) ! Multiplied by reaction path degeneracy 2 Si2H2(19)=SiH2Si(16) 1.580e+07 0.000 1.269
232. SiH(15) + SiH(15) ⇔ Si2H2(19) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -71.26
S298 (cal/mol*K) = -31.45
G298 (kcal/mol) = -61.89
! Template reaction: R_Recombination ! Flux pairs: SiH(15), Si2H2(19); SiH(15), Si2H2(19); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) SiH(15)+SiH(15)=Si2H2(19) 7.206e+12 0.101 -0.195
627. Si2H6(4) + Si2H2(19) ⇔ H8Si4(10) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.8+6.2+5.9
Arrhenius(A=(72000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 12""")
H298 (kcal/mol) = -32.64
S298 (cal/mol*K) = -32.23
G298 (kcal/mol) = -23.03
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H8Si4(10); Si2H2(19), H8Si4(10); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 12 Si2H6(4)+Si2H2(19)=H8Si4(10) 7.200e+10 0.000 -9.100
1004. Si2H2(19) + H5Si3(24) ⇔ H6Si3(2) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -2.97
G298 (kcal/mol) = -2.64
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); Si2H2(19), HSi2(88); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H5Si3(24)=H6Si3(2)+HSi2(88) 3.896e+02 3.620 -0.129
1006. Si2H2(19) + H5Si3(26) ⇔ H6Si3(2) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -0.07
G298 (kcal/mol) = -1.73
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(26), H6Si3(2); Si2H2(19), HSi2(88); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H5Si3(26)=H6Si3(2)+HSi2(88) 3.896e+02 3.620 -0.129
1010. SiH3(7) + Si2H2(19) ⇔ SiH4(3) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -20.17
S298 (cal/mol*K) = -6.50
G298 (kcal/mol) = -18.24
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); Si2H2(19), HSi2(88); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 2 SiH3(7)+Si2H2(19)=SiH4(3)+HSi2(88) 3.896e+02 3.620 -0.129
1013. Si2H5(8) + Si2H2(19) ⇔ Si2H6(4) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -16.27
S298 (cal/mol*K) = -6.53
G298 (kcal/mol) = -14.33
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); Si2H2(19), HSi2(88); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H5(8)+Si2H2(19)=Si2H6(4)+HSi2(88) 3.896e+02 3.620 -0.129
1016. SiH(15) + Si2H2(19) ⇔ SiH2(5) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.8-2.6-1.9-1.5
Arrhenius(A=(400000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.00
S298 (cal/mol*K) = -1.32
G298 (kcal/mol) = -6.61
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); Si2H2(19), HSi2(88); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 4 SiH(15)+Si2H2(19)=SiH2(5)+HSi2(88) 4.000e+05 0.000 10.000
1018. Si2H2(19) + H3Si2(23) ⇔ SiH3SiH(6) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -3.77
G298 (kcal/mol) = -2.40
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); Si2H2(19), HSi2(88); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H3Si2(23)=SiH3SiH(6)+HSi2(88) 3.896e+02 3.620 -0.129
1019. Si2H2(19) + H3Si2(30) ⇔ SiH3SiH(6) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -0.07
G298 (kcal/mol) = -1.73
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(30), SiH3SiH(6); Si2H2(19), HSi2(88); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H3Si2(30)=SiH3SiH(6)+HSi2(88) 3.896e+02 3.620 -0.129
1058. Si2H2(19) + H7Si3(37) ⇔ Si3H8(12) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -13.78
S298 (cal/mol*K) = -5.30
G298 (kcal/mol) = -12.20
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); Si2H2(19), HSi2(88); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H7Si3(37)=Si3H8(12)+HSi2(88) 3.896e+02 3.620 -0.129
1059. Si2H2(19) + H7Si3(36) ⇔ Si3H8(12) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -16.28
S298 (cal/mol*K) = -6.53
G298 (kcal/mol) = -14.33
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); Si2H2(19), HSi2(88); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H7Si3(36)=Si3H8(12)+HSi2(88) 3.896e+02 3.620 -0.129
1079. Si2H2(19) + H9Si4(38) ⇔ H10Si4(33) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -13.78
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -11.79
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); Si2H2(19), HSi2(88); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H9Si4(38)=H10Si4(33)+HSi2(88) 3.896e+02 3.620 -0.129
1080. Si2H2(19) + H9Si4(35) ⇔ H10Si4(33) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -16.28
S298 (cal/mol*K) = -6.53
G298 (kcal/mol) = -14.33
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); Si2H2(19), HSi2(88); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H9Si4(35)=H10Si4(33)+HSi2(88) 3.896e+02 3.620 -0.129
1153. Si2H2(19) + H7Si4(91) ⇔ H8Si4(10) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -2.97
G298 (kcal/mol) = -2.64
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(10); Si2H2(19), HSi2(88); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H7Si4(91)=H8Si4(10)+HSi2(88) 3.896e+02 3.620 -0.129
1155. Si2H2(19) + H7Si4(116) ⇔ H8Si4(10) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -0.07
G298 (kcal/mol) = -1.73
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(116), H8Si4(10); Si2H2(19), HSi2(88); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H7Si4(116)=H8Si4(10)+HSi2(88) 3.896e+02 3.620 -0.129
1166. Si2H2(19) + H7Si4(124) ⇔ cSi4H8(9) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -13.77
S298 (cal/mol*K) = -9.43
G298 (kcal/mol) = -10.96
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); Si2H2(19), HSi2(88); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H7Si4(124)=cSi4H8(9)+HSi2(88) 3.896e+02 3.620 -0.129
2592. H3Si3(53) + Si2H2(19) ⇔ H4Si3(62) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -0.07
G298 (kcal/mol) = -1.73
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H3Si3(53), H4Si3(62); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H3Si3(53)+Si2H2(19)=H4Si3(62)+HSi2(88) 3.896e+02 3.620 -0.129
2664. SiH2(5) + Si2H2(19) ⇔ H4Si3(28) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -49.67
S298 (cal/mol*K) = -31.79
G298 (kcal/mol) = -40.19
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(19), H4Si3(28); SiH2(5), H4Si3(28); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(5)+Si2H2(19)=H4Si3(28) 4.626e+11 0.000 -9.392
2722. Si2H2(19) + H3Si3(128) ⇔ H4Si3(28) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H3Si3(128), H4Si3(28); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H3Si3(128)=H4Si3(28)+HSi2(88) 3.896e+02 3.620 -0.129
2724. Si2H2(19) + HSi3(112) ⇔ H2Si3(119) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -0.07
G298 (kcal/mol) = -1.73
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); HSi3(112), H2Si3(119); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+HSi3(112)=H2Si3(119)+HSi2(88) 3.896e+02 3.620 -0.129
2803. H5Si4(55) + Si2H2(19) ⇔ H6Si4(90) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -1.75
S298 (cal/mol*K) = -0.07
G298 (kcal/mol) = -1.73
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H5Si4(55), H6Si4(90); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H5Si4(55)+Si2H2(19)=H6Si4(90)+HSi2(88) 3.896e+02 3.620 -0.129
2843. SiH3SiH(6) + Si2H2(19) ⇔ H6Si4(82) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -50.51
S298 (cal/mol*K) = -37.40
G298 (kcal/mol) = -39.37
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(19), H6Si4(82); SiH3SiH(6), H6Si4(82); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 SiH3SiH(6)+Si2H2(19)=H6Si4(82) 1.200e+10 0.000 -9.100
3189. Si2H2(19) + H5Si4(212) ⇔ H6Si4(80) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.15
G298 (kcal/mol) = -1.99
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H5Si4(212), H6Si4(80); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H5Si4(212)=H6Si4(80)+HSi2(88) 3.896e+02 3.620 -0.129
3329. Si2H2(19) + H5Si4(220) ⇔ H6Si4(61) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -3.77
G298 (kcal/mol) = -2.40
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H5Si4(220)=H6Si4(61)+HSi2(88) 3.896e+02 3.620 -0.129
3540. Si2H2(19) + H3Si4(190) ⇔ H4Si4(121) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -3.77
G298 (kcal/mol) = -2.40
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H3Si4(190)=H4Si4(121)+HSi2(88) 3.896e+02 3.620 -0.129
3661. Si2H2(19) + Si2(43) ⇔ H2Si4(122) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -26.63
S298 (cal/mol*K) = -15.04
G298 (kcal/mol) = -22.15
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H2(19), H2Si4(122); Si2(43), H2Si4(122); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 Si2H2(19)+Si2(43)=H2Si4(122) 7.440e+14 0.000 -0.454
3820. Si2H2(19) + HSi4(150) ⇔ H2Si4(122) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); HSi4(150), H2Si4(122); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+HSi4(150)=H2Si4(122)+HSi2(88) 3.896e+02 3.620 -0.129
1409. SiH3(7) + H4Si4(169) ⇔ SiH4(3) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -3.53
G298 (kcal/mol) = -15.60
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H4Si4(169), H3Si4(170); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(7)+H4Si4(169)=SiH4(3)+H3Si4(170) 7.792e+02 3.620 -0.129
1412. Si2H5(8) + H4Si4(169) ⇔ Si2H6(4) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H4Si4(169), H3Si4(170); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si2H5(8)+H4Si4(169)=Si2H6(4)+H3Si4(170) 7.792e+02 3.620 -0.129
1415. SiH(15) + H4Si4(169) ⇔ SiH2(5) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.5-2.3-1.6-1.2
Arrhenius(A=(800000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 1.65
G298 (kcal/mol) = -3.97
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H4Si4(169), H3Si4(170); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 8 SiH(15)+H4Si4(169)=SiH2(5)+H3Si4(170) 8.000e+05 0.000 10.000
1418. H7Si3(36) + H4Si4(169) ⇔ Si3H8(12) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H4Si4(169), H3Si4(170); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(36)+H4Si4(169)=Si3H8(12)+H3Si4(170) 7.792e+02 3.620 -0.129
1421. SiH3SiH(6) + H3Si4(170) ⇔ H3Si2(23) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H3Si4(170), H4Si4(169); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H3Si4(170)=H3Si2(23)+H4Si4(169) 1.753e+03 3.620 -0.129
1430. H6Si4(90) + H3Si4(170) ⇔ H5Si4(55) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H3Si4(170), H4Si4(169); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si4(90)+H3Si4(170)=H5Si4(55)+H4Si4(169) 1.948e+02 3.620 -0.129
1436. H2Si3(119) + H3Si4(170) ⇔ H4Si4(169) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H3Si4(170), H4Si4(169); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si3(119)+H3Si4(170)=H4Si4(169)+HSi3(112) 1.948e+02 3.620 -0.129
1439. H9Si4(35) + H4Si4(169) ⇔ H10Si4(33) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H4Si4(169), H3Si4(170); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(35)+H4Si4(169)=H10Si4(33)+H3Si4(170) 7.792e+02 3.620 -0.129
1442. H4Si3(62) + H3Si4(170) ⇔ H3Si3(53) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H3Si4(170), H4Si4(169); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H3Si4(170)=H3Si3(53)+H4Si4(169) 1.948e+02 3.620 -0.129
1448. Si2H2(19) + H3Si4(170) ⇔ HSi2(88) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -2.97
G298 (kcal/mol) = -2.64
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H3Si4(170), H4Si4(169); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H3Si4(170)=HSi2(88)+H4Si4(169) 3.896e+02 3.620 -0.129
1451. H4Si4(169) + H7Si4(124) ⇔ cSi4H8(9) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -6.46
G298 (kcal/mol) = -8.33
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H4Si4(169), H3Si4(170); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H4Si4(169)+H7Si4(124)=cSi4H8(9)+H3Si4(170) 7.792e+02 3.620 -0.129
1454. H8Si4(10) + H3Si4(170) ⇔ H7Si4(91) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(91); H3Si4(170), H4Si4(169); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H8Si4(10)+H3Si4(170)=H7Si4(91)+H4Si4(169) 7.792e+02 3.620 0.001
1633. H6Si3(2) + H3Si4(170) ⇔ H5Si3(24) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(170), H4Si4(169); H6Si3(2), H5Si3(24); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si3(2)+H3Si4(170)=H5Si3(24)+H4Si4(169) 7.792e+02 3.620 0.001
1735. H2Si4(122) + H3Si4(170) ⇔ H4Si4(169) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(170), H4Si4(169); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si4(122)+H3Si4(170)=H4Si4(169)+HSi4(150) 1.948e+02 3.620 -0.129
1975. SiH3SiH(6) + H3Si4(170) ⇔ H3Si2(30) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(170), H4Si4(169); SiH3SiH(6), H3Si2(30); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H3Si4(170)=H3Si2(30)+H4Si4(169) 1.948e+02 3.620 -0.129
1978. H8Si4(10) + H3Si4(170) ⇔ H7Si4(116) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(170), H4Si4(169); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H8Si4(10)+H3Si4(170)=H7Si4(116)+H4Si4(169) 1.948e+02 3.620 -0.129
2238. H9Si4(38) + H4Si4(169) ⇔ H10Si4(33) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -3.71
G298 (kcal/mol) = -9.15
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(169), H3Si4(170); H9Si4(38), H10Si4(33); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H9Si4(38)+H4Si4(169)=H10Si4(33)+H3Si4(170) 7.792e+02 3.620 -0.129
2241. H7Si3(37) + H4Si4(169) ⇔ Si3H8(12) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(169), H3Si4(170); H7Si3(37), Si3H8(12); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si3(37)+H4Si4(169)=Si3H8(12)+H3Si4(170) 7.792e+02 3.620 -0.129
2419. H6Si3(2) + H3Si4(170) ⇔ H5Si3(26) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(170), H4Si4(169); H6Si3(2), H5Si3(26); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H3Si4(170)=H5Si3(26)+H4Si4(169) 1.948e+02 3.620 -0.129
2610. H4Si3(28) + H3Si4(170) ⇔ H4Si4(169) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(170), H4Si4(169); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H3Si4(170)=H4Si4(169)+H3Si3(128) 1.948e+02 3.620 -0.129
3210. H4Si4(121) + H3Si4(170) ⇔ H4Si4(169) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(170), H4Si4(169); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si4(121)+H3Si4(170)=H4Si4(169)+H3Si4(190) 1.753e+03 3.620 0.001
3565. H6Si4(61) + H3Si4(170) ⇔ H5Si4(220) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(170), H4Si4(169); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si4(61)+H3Si4(170)=H5Si4(220)+H4Si4(169) 1.753e+03 3.620 0.001
3853. H6Si4(80) + H3Si4(170) ⇔ H4Si4(169) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.18
G298 (kcal/mol) = -0.65
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(170), H4Si4(169); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si4(80)+H3Si4(170)=H4Si4(169)+H5Si4(212) 3.507e+03 3.620 0.001
1463. SiH3(7) + H4Si4(162) ⇔ SiH4(3) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -2.15
G298 (kcal/mol) = -16.01
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H4Si4(162), H3Si4(179); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 8 SiH3(7)+H4Si4(162)=SiH4(3)+H3Si4(179) 1.558e+03 3.620 -0.129
1465. Si2H5(8) + H4Si4(162) ⇔ Si2H6(4) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = -12.10
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H4Si4(162), H3Si4(179); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 Si2H5(8)+H4Si4(162)=Si2H6(4)+H3Si4(179) 1.558e+03 3.620 -0.129
1467. SiH(15) + H4Si4(162) ⇔ SiH2(5) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.2-2.0-1.3-0.9
Arrhenius(A=(1.6e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 3.03
G298 (kcal/mol) = -4.38
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H4Si4(162), H3Si4(179); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 16 SiH(15)+H4Si4(162)=SiH2(5)+H3Si4(179) 1.600e+06 0.000 10.000
1469. H7Si3(36) + H4Si4(162) ⇔ Si3H8(12) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = -12.10
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H4Si4(162), H3Si4(179); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H7Si3(36)+H4Si4(162)=Si3H8(12)+H3Si4(179) 1.558e+03 3.620 -0.129
1471. H3Si2(23) + H4Si4(162) ⇔ SiH3SiH(6) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.57
G298 (kcal/mol) = -0.17
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H4Si4(162), H3Si4(179); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H3Si2(23)+H4Si4(162)=SiH3SiH(6)+H3Si4(179) 1.558e+03 3.620 0.001
1478. H6Si4(90) + H3Si4(179) ⇔ H5Si4(55) + H4Si4(162) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H3Si4(179), H4Si4(162); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si4(90)+H3Si4(179)=H5Si4(55)+H4Si4(162) 1.948e+02 3.620 -0.129
1481. H2Si3(119) + H3Si4(179) ⇔ HSi3(112) + H4Si4(162) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H3Si4(179), H4Si4(162); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si3(119)+H3Si4(179)=HSi3(112)+H4Si4(162) 1.948e+02 3.620 -0.129
1483. H9Si4(35) + H4Si4(162) ⇔ H10Si4(33) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = -12.10
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H4Si4(162), H3Si4(179); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H9Si4(35)+H4Si4(162)=H10Si4(33)+H3Si4(179) 1.558e+03 3.620 -0.129
1486. H4Si3(62) + H3Si4(179) ⇔ H3Si3(53) + H4Si4(162) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H3Si4(179), H4Si4(162); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H3Si4(179)=H3Si3(53)+H4Si4(162) 1.948e+02 3.620 -0.129
1489. Si2H2(19) + H3Si4(179) ⇔ HSi2(88) + H4Si4(162) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H3Si4(179), H4Si4(162); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H3Si4(179)=HSi2(88)+H4Si4(162) 3.896e+02 3.620 -0.129
1491. H4Si4(162) + H7Si4(124) ⇔ cSi4H8(9) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -5.09
G298 (kcal/mol) = -8.74
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H4Si4(162), H3Si4(179); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H4Si4(162)+H7Si4(124)=cSi4H8(9)+H3Si4(179) 1.558e+03 3.620 -0.129
1493. H7Si4(91) + H4Si4(162) ⇔ H8Si4(10) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(10); H4Si4(162), H3Si4(179); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H7Si4(91)+H4Si4(162)=H8Si4(10)+H3Si4(179) 1.558e+03 3.620 -0.129
1637. H5Si3(24) + H4Si4(162) ⇔ H6Si3(2) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(162), H3Si4(179); H5Si3(24), H6Si3(2); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(24)+H4Si4(162)=H6Si3(2)+H3Si4(179) 1.558e+03 3.620 0.000
1739. H2Si4(122) + H3Si4(179) ⇔ HSi4(150) + H4Si4(162) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.72
G298 (kcal/mol) = -1.82
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(179), H4Si4(162); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si4(122)+H3Si4(179)=HSi4(150)+H4Si4(162) 1.948e+02 3.620 -0.129
1983. SiH3SiH(6) + H3Si4(179) ⇔ H3Si2(30) + H4Si4(162) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(179), H4Si4(162); SiH3SiH(6), H3Si2(30); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H3Si4(179)=H3Si2(30)+H4Si4(162) 1.948e+02 3.620 -0.129
1984. H8Si4(10) + H3Si4(179) ⇔ H7Si4(116) + H4Si4(162) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(179), H4Si4(162); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H8Si4(10)+H3Si4(179)=H7Si4(116)+H4Si4(162) 1.948e+02 3.620 -0.129
2246. H9Si4(38) + H4Si4(162) ⇔ H10Si4(33) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(162), H3Si4(179); H9Si4(38), H10Si4(33); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H9Si4(38)+H4Si4(162)=H10Si4(33)+H3Si4(179) 1.558e+03 3.620 -0.129
2247. H7Si3(37) + H4Si4(162) ⇔ Si3H8(12) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -0.95
G298 (kcal/mol) = -9.97
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(162), H3Si4(179); H7Si3(37), Si3H8(12); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H7Si3(37)+H4Si4(162)=Si3H8(12)+H3Si4(179) 1.558e+03 3.620 -0.129
2423. H6Si3(2) + H3Si4(179) ⇔ H5Si3(26) + H4Si4(162) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(179), H4Si4(162); H6Si3(2), H5Si3(26); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H3Si4(179)=H5Si3(26)+H4Si4(162) 1.948e+02 3.620 -0.129
2614. H4Si3(28) + H3Si4(179) ⇔ H4Si4(162) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.72
G298 (kcal/mol) = -1.82
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(179), H4Si4(162); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H3Si4(179)=H4Si4(162)+H3Si3(128) 1.948e+02 3.620 -0.129
3214. H4Si4(162) + H3Si4(190) ⇔ H4Si4(121) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.57
G298 (kcal/mol) = -0.17
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(162), H3Si4(179); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si4(162)+H3Si4(190)=H4Si4(121)+H3Si4(179) 1.558e+03 3.620 -0.129
3569. H5Si4(220) + H4Si4(162) ⇔ H6Si4(61) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.57
G298 (kcal/mol) = -0.17
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(162), H3Si4(179); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H5Si4(220)+H4Si4(162)=H6Si4(61)+H3Si4(179) 1.558e+03 3.620 -0.129
3861. H6Si4(80) + H3Si4(179) ⇔ H4Si4(162) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(179), H4Si4(162); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H3Si4(179)=H4Si4(162)+H5Si4(212) 3.507e+03 3.620 -0.129
4022. H3Si4(179) ⇔ H3Si4(170) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.4+11.6+12.0+12.2
Arrhenius(A=(6.02e+12,'1/s'), n=0, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -21.40
S298 (cal/mol*K) = -7.68
G298 (kcal/mol) = -19.11
! Template reaction: Silylene_to_Silene ! Flux pairs: H3Si4(179), H3Si4(170); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 2 H3Si4(179)=H3Si4(170) 6.020e+12 0.000 5.500
4115. H4Si4(162) + H3Si4(170) ⇔ H4Si4(169) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(162), H3Si4(179); H3Si4(170), H4Si4(169); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si4(162)+H3Si4(170)=H4Si4(169)+H3Si4(179) 1.558e+03 3.620 0.001
1369. SiH3(7) + H6Si4(160) ⇔ SiH4(3) + H5Si4(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.40
S298 (cal/mol*K) = -1.20
G298 (kcal/mol) = -6.04
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H6Si4(160), H5Si4(167); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 8 SiH3(7)+H6Si4(160)=SiH4(3)+H5Si4(167) 1.558e+03 3.620 -0.129
1371. Si2H5(8) + H6Si4(160) ⇔ Si2H6(4) + H5Si4(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -2.13
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H6Si4(160), H5Si4(167); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 Si2H5(8)+H6Si4(160)=Si2H6(4)+H5Si4(167) 1.558e+03 3.620 -0.129
1373. SiH2(5) + H5Si4(167) ⇔ SiH(15) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.77
S298 (cal/mol*K) = -3.98
G298 (kcal/mol) = -5.59
! Template reaction: H_Abstraction ! Flux pairs: SiH2(5), SiH(15); H5Si4(167), H6Si4(160); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H5Si4(167)=SiH(15)+H6Si4(160) 7.792e+02 3.620 -0.129
1375. H7Si3(36) + H6Si4(160) ⇔ Si3H8(12) + H5Si4(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -2.13
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H6Si4(160), H5Si4(167); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H7Si3(36)+H6Si4(160)=Si3H8(12)+H5Si4(167) 1.558e+03 3.620 -0.129
1377. SiH3SiH(6) + H5Si4(167) ⇔ H3Si2(23) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = -9.80
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H5Si4(167), H6Si4(160); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H5Si4(167)=H3Si2(23)+H6Si4(160) 1.753e+03 3.620 -0.129
1383. H6Si4(90) + H5Si4(167) ⇔ H5Si4(55) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H5Si4(167), H6Si4(160); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si4(90)+H5Si4(167)=H5Si4(55)+H6Si4(160) 1.948e+02 3.620 -0.129
1387. H2Si3(119) + H5Si4(167) ⇔ HSi3(112) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H5Si4(167), H6Si4(160); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si3(119)+H5Si4(167)=HSi3(112)+H6Si4(160) 1.948e+02 3.620 -0.129
1389. H9Si4(35) + H6Si4(160) ⇔ H10Si4(33) + H5Si4(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -2.13
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H6Si4(160), H5Si4(167); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H9Si4(35)+H6Si4(160)=H10Si4(33)+H5Si4(167) 1.558e+03 3.620 -0.129
1391. H4Si3(62) + H5Si4(167) ⇔ H3Si3(53) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H5Si4(167), H6Si4(160); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H5Si4(167)=H3Si3(53)+H6Si4(160) 1.948e+02 3.620 -0.129
1395. Si2H2(19) + H5Si4(167) ⇔ HSi2(88) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -13.77
S298 (cal/mol*K) = -5.30
G298 (kcal/mol) = -12.20
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H5Si4(167), H6Si4(160); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H5Si4(167)=HSi2(88)+H6Si4(160) 3.896e+02 3.620 -0.129
1397. cSi4H8(9) + H5Si4(167) ⇔ H6Si4(160) + H7Si4(124) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.4
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(2.79397e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 16 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 4.13
G298 (kcal/mol) = -1.23
! Template reaction: H_Abstraction ! Flux pairs: cSi4H8(9), H7Si4(124); H5Si4(167), H6Si4(160); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 16 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. cSi4H8(9)+H5Si4(167)=H6Si4(160)+H7Si4(124) 3.117e+03 3.620 0.000
1399. H8Si4(10) + H5Si4(167) ⇔ H7Si4(91) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(91); H5Si4(167), H6Si4(160); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(10)+H5Si4(167)=H7Si4(91)+H6Si4(160) 7.792e+02 3.620 -0.129
1631. H6Si3(2) + H5Si4(167) ⇔ H5Si3(24) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H6Si3(2), H5Si3(24); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H5Si4(167)=H5Si3(24)+H6Si4(160) 7.792e+02 3.620 -0.129
1733. H2Si4(122) + H5Si4(167) ⇔ HSi4(150) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -13.77
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -11.79
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si4(122)+H5Si4(167)=HSi4(150)+H6Si4(160) 1.948e+02 3.620 -0.129
1971. SiH3SiH(6) + H5Si4(167) ⇔ H3Si2(30) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); SiH3SiH(6), H3Si2(30); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H5Si4(167)=H3Si2(30)+H6Si4(160) 1.948e+02 3.620 -0.129
1973. H8Si4(10) + H5Si4(167) ⇔ H7Si4(116) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H8Si4(10)+H5Si4(167)=H7Si4(116)+H6Si4(160) 1.948e+02 3.620 -0.129
2234. H10Si4(33) + H5Si4(167) ⇔ H9Si4(38) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H10Si4(33), H9Si4(38); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H10Si4(33)+H5Si4(167)=H9Si4(38)+H6Si4(160) 1.558e+03 3.620 0.001
2236. H7Si3(37) + H6Si4(160) ⇔ Si3H8(12) + H5Si4(167) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(160), H5Si4(167); H7Si3(37), Si3H8(12); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H7Si3(37)+H6Si4(160)=Si3H8(12)+H5Si4(167) 1.558e+03 3.620 -0.129
2417. H6Si3(2) + H5Si4(167) ⇔ H5Si3(26) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H6Si3(2), H5Si3(26); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H5Si4(167)=H5Si3(26)+H6Si4(160) 1.948e+02 3.620 -0.129
2608. H4Si3(28) + H5Si4(167) ⇔ H6Si4(160) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -13.77
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -11.79
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H5Si4(167)=H6Si4(160)+H3Si3(128) 1.948e+02 3.620 -0.129
3208. H4Si4(121) + H5Si4(167) ⇔ H6Si4(160) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = -9.80
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H4Si4(121)+H5Si4(167)=H6Si4(160)+H3Si4(190) 1.753e+03 3.620 -0.129
3563. H6Si4(61) + H5Si4(167) ⇔ H5Si4(220) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = -9.80
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H5Si4(167)=H5Si4(220)+H6Si4(160) 1.753e+03 3.620 -0.129
3849. H6Si4(80) + H5Si4(167) ⇔ H6Si4(160) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -0.15
G298 (kcal/mol) = -10.21
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H5Si4(167)=H6Si4(160)+H5Si4(212) 3.507e+03 3.620 -0.129
4033. H2(11) + H3Si4(170) ⇔ H5Si4(167) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.95
S298 (cal/mol*K) = -25.00
G298 (kcal/mol) = -3.50
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H5Si4(167); H3Si4(170), H5Si4(167); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H3Si4(170)=H5Si4(167) 2.400e+13 0.000 -0.500
4110. H5Si4(167) + H4Si4(169) ⇔ H6Si4(160) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H4Si4(169), H3Si4(170); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H5Si4(167)+H4Si4(169)=H6Si4(160)+H3Si4(170) 7.792e+02 3.620 -0.129
4349. H5Si4(167) + H4Si4(162) ⇔ H3Si4(179) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -0.95
G298 (kcal/mol) = -9.97
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(167), H6Si4(160); H4Si4(162), H3Si4(179); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H5Si4(167)+H4Si4(162)=H3Si4(179)+H6Si4(160) 1.558e+03 3.620 -0.129
1001. H2(11) + H5Si4(139) ⇔ H7Si4(124) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -43.25
S298 (cal/mol*K) = -23.57
G298 (kcal/mol) = -36.22
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H7Si4(124); H5Si4(139), H7Si4(124); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H5Si4(139)=H7Si4(124) 2.400e+13 0.000 -0.500
1221. SiH3(7) + H6Si4(125) ⇔ SiH4(3) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -3.53
G298 (kcal/mol) = -15.60
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H6Si4(125), H5Si4(139); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 8 SiH3(7)+H6Si4(125)=SiH4(3)+H5Si4(139) 1.558e+03 3.620 -0.129
1228. Si2H5(8) + H6Si4(125) ⇔ Si2H6(4) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H6Si4(125), H5Si4(139); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 Si2H5(8)+H6Si4(125)=Si2H6(4)+H5Si4(139) 1.558e+03 3.620 -0.129
1252. SiH(15) + H6Si4(125) ⇔ SiH2(5) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.2-2.0-1.3-0.9
Arrhenius(A=(1.6e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 1.65
G298 (kcal/mol) = -3.97
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H6Si4(125), H5Si4(139); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 16 SiH(15)+H6Si4(125)=SiH2(5)+H5Si4(139) 1.600e+06 0.000 10.000
1262. H7Si3(36) + H6Si4(125) ⇔ Si3H8(12) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H6Si4(125), H5Si4(139); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H7Si3(36)+H6Si4(125)=Si3H8(12)+H5Si4(139) 1.558e+03 3.620 -0.129
1271. SiH3SiH(6) + H5Si4(139) ⇔ H3Si2(23) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H5Si4(139), H6Si4(125); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H5Si4(139)=H3Si2(23)+H6Si4(125) 1.753e+03 3.620 -0.129
1296. H6Si4(90) + H5Si4(139) ⇔ H5Si4(55) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H5Si4(139), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si4(90)+H5Si4(139)=H5Si4(55)+H6Si4(125) 1.948e+02 3.620 -0.129
1314. H2Si3(119) + H5Si4(139) ⇔ HSi3(112) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H5Si4(139), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si3(119)+H5Si4(139)=HSi3(112)+H6Si4(125) 1.948e+02 3.620 -0.129
1321. H9Si4(35) + H6Si4(125) ⇔ H10Si4(33) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H6Si4(125), H5Si4(139); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H9Si4(35)+H6Si4(125)=H10Si4(33)+H5Si4(139) 1.558e+03 3.620 -0.129
1331. H4Si3(62) + H5Si4(139) ⇔ H3Si3(53) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H5Si4(139), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H5Si4(139)=H3Si3(53)+H6Si4(125) 1.948e+02 3.620 -0.129
1345. Si2H2(19) + H5Si4(139) ⇔ HSi2(88) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -2.97
G298 (kcal/mol) = -2.64
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H5Si4(139), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H5Si4(139)=HSi2(88)+H6Si4(125) 3.896e+02 3.620 -0.129
1352. H7Si4(124) + H6Si4(125) ⇔ cSi4H8(9) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -6.46
G298 (kcal/mol) = -8.33
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H6Si4(125), H5Si4(139); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H7Si4(124)+H6Si4(125)=cSi4H8(9)+H5Si4(139) 1.558e+03 3.620 -0.129
1361. H8Si4(10) + H5Si4(139) ⇔ H7Si4(91) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); H8Si4(10), H7Si4(91); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H8Si4(10)+H5Si4(139)=H7Si4(91)+H6Si4(125) 7.792e+02 3.620 0.001
1622. H6Si3(2) + H5Si4(139) ⇔ H5Si3(24) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); H6Si3(2), H5Si3(24); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si3(2)+H5Si4(139)=H5Si3(24)+H6Si4(125) 7.792e+02 3.620 0.001
1727. H2Si4(122) + H5Si4(139) ⇔ HSi4(150) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si4(122)+H5Si4(139)=HSi4(150)+H6Si4(125) 1.948e+02 3.620 -0.129
1956. SiH3SiH(6) + H5Si4(139) ⇔ H3Si2(30) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); SiH3SiH(6), H3Si2(30); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H5Si4(139)=H3Si2(30)+H6Si4(125) 1.948e+02 3.620 -0.129
1958. H8Si4(10) + H5Si4(139) ⇔ H7Si4(116) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H8Si4(10)+H5Si4(139)=H7Si4(116)+H6Si4(125) 1.948e+02 3.620 -0.129
2217. H9Si4(38) + H6Si4(125) ⇔ H10Si4(33) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -3.71
G298 (kcal/mol) = -9.15
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(125), H5Si4(139); H9Si4(38), H10Si4(33); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H9Si4(38)+H6Si4(125)=H10Si4(33)+H5Si4(139) 1.558e+03 3.620 -0.129
2219. H7Si3(37) + H6Si4(125) ⇔ Si3H8(12) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(125), H5Si4(139); H7Si3(37), Si3H8(12); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H7Si3(37)+H6Si4(125)=Si3H8(12)+H5Si4(139) 1.558e+03 3.620 -0.129
2409. H6Si3(2) + H5Si4(139) ⇔ H5Si3(26) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); H6Si3(2), H5Si3(26); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H5Si4(139)=H5Si3(26)+H6Si4(125) 1.948e+02 3.620 -0.129
2600. H4Si3(28) + H5Si4(139) ⇔ H6Si4(125) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H5Si4(139)=H6Si4(125)+H3Si3(128) 1.948e+02 3.620 -0.129
3200. H4Si4(121) + H5Si4(139) ⇔ H6Si4(125) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si4(121)+H5Si4(139)=H6Si4(125)+H3Si4(190) 1.753e+03 3.620 0.001
3554. H6Si4(61) + H5Si4(139) ⇔ H5Si4(220) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si4(61)+H5Si4(139)=H5Si4(220)+H6Si4(125) 1.753e+03 3.620 0.001
3835. H6Si4(80) + H5Si4(139) ⇔ H6Si4(125) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.18
G298 (kcal/mol) = -0.65
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si4(80)+H5Si4(139)=H6Si4(125)+H5Si4(212) 3.507e+03 3.620 0.001
4103. H6Si4(125) + H3Si4(170) ⇔ H4Si4(169) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(125), H5Si4(139); H3Si4(170), H4Si4(169); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H6Si4(125)+H3Si4(170)=H4Si4(169)+H5Si4(139) 1.558e+03 3.620 -0.129
4215. H2(11) + H3Si4(179) ⇔ H5Si4(139) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.40
S298 (cal/mol*K) = -34.51
G298 (kcal/mol) = -19.12
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H5Si4(139); H3Si4(179), H5Si4(139); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H3Si4(179)=H5Si4(139) 2.400e+13 0.000 -0.500
4336. H5Si4(139) + H4Si4(162) ⇔ H3Si4(179) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(139), H6Si4(125); H4Si4(162), H3Si4(179); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si4(139)+H4Si4(162)=H3Si4(179)+H6Si4(125) 1.558e+03 3.620 0.001
4500. H5Si4(139) ⇔ H5Si4(167) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.4+11.6+12.0+12.2
Arrhenius(A=(6.02e+12,'1/s'), n=0, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.95
S298 (cal/mol*K) = 1.83
G298 (kcal/mol) = -3.49
! Template reaction: Silylene_to_Silene ! Flux pairs: H5Si4(139), H5Si4(167); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 2 H5Si4(139)=H5Si4(167) 6.020e+12 0.000 5.500
4580. H5Si4(167) + H6Si4(125) ⇔ H5Si4(139) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(125), H5Si4(139); H5Si4(167), H6Si4(160); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H5Si4(167)+H6Si4(125)=H5Si4(139)+H6Si4(160) 1.558e+03 3.620 -0.129
1462. SiH3(7) + H2Si4(175) ⇔ SiH4(3) + HSi4(176) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -9.28
S298 (cal/mol*K) = 0.05
G298 (kcal/mol) = -9.30
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H2Si4(175), HSi4(176); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) ! Multiplied by reaction path degeneracy 2 SiH3(7)+H2Si4(175)=SiH4(3)+HSi4(176) 3.896e+02 3.620 -0.129
1464. Si2H5(8) + H2Si4(175) ⇔ Si2H6(4) + HSi4(176) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H2Si4(175), HSi4(176); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H5(8)+H2Si4(175)=Si2H6(4)+HSi4(176) 3.896e+02 3.620 -0.129
1466. SiH2(5) + HSi4(176) ⇔ SiH(15) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -2.33
! Template reaction: H_Abstraction ! Flux pairs: SiH2(5), SiH(15); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 SiH2(5)+HSi4(176)=SiH(15)+H2Si4(175) 7.792e+02 3.620 -0.129
1468. H7Si3(36) + H2Si4(175) ⇔ Si3H8(12) + HSi4(176) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H2Si4(175), HSi4(176); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H7Si3(36)+H2Si4(175)=Si3H8(12)+HSi4(176) 3.896e+02 3.620 -0.129
1470. SiH3SiH(6) + HSi4(176) ⇔ H3Si2(23) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+HSi4(176)=H3Si2(23)+H2Si4(175) 1.753e+03 3.620 -0.129
1476. H6Si4(90) + HSi4(176) ⇔ H5Si4(55) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H6Si4(90)+HSi4(176)=H5Si4(55)+H2Si4(175) 1.948e+02 3.620 -0.129
1480. H2Si3(119) + HSi4(176) ⇔ HSi3(112) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H2Si3(119)+HSi4(176)=HSi3(112)+H2Si4(175) 1.948e+02 3.620 -0.129
1482. H9Si4(35) + H2Si4(175) ⇔ H10Si4(33) + HSi4(176) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H2Si4(175), HSi4(176); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H9Si4(35)+H2Si4(175)=H10Si4(33)+HSi4(176) 3.896e+02 3.620 -0.129
1484. H4Si3(62) + HSi4(176) ⇔ H3Si3(53) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H4Si3(62)+HSi4(176)=H3Si3(53)+H2Si4(175) 1.948e+02 3.620 -0.129
1488. Si2H2(19) + HSi4(176) ⇔ HSi2(88) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -6.55
G298 (kcal/mol) = -8.94
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+HSi4(176)=HSi2(88)+H2Si4(175) 3.896e+02 3.620 -0.129
1490. H7Si4(124) + H2Si4(175) ⇔ cSi4H8(9) + HSi4(176) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -2.89
G298 (kcal/mol) = -2.02
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H2Si4(175), HSi4(176); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H7Si4(124)+H2Si4(175)=cSi4H8(9)+HSi4(176) 3.896e+02 3.620 -0.129
1492. H8Si4(10) + HSi4(176) ⇔ H7Si4(91) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(91); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(10)+HSi4(176)=H7Si4(91)+H2Si4(175) 7.792e+02 3.620 -0.129
1636. H6Si3(2) + HSi4(176) ⇔ H5Si3(24) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H6Si3(2), H5Si3(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+HSi4(176)=H5Si3(24)+H2Si4(175) 7.792e+02 3.620 -0.129
1738. H2Si4(122) + HSi4(176) ⇔ HSi4(150) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H2Si4(122), HSi4(150); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H2Si4(122)+HSi4(176)=HSi4(150)+H2Si4(175) 1.948e+02 3.620 -0.129
1981. SiH3SiH(6) + HSi4(176) ⇔ H3Si2(30) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); SiH3SiH(6), H3Si2(30); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) SiH3SiH(6)+HSi4(176)=H3Si2(30)+H2Si4(175) 1.948e+02 3.620 -0.129
1982. H8Si4(10) + HSi4(176) ⇔ H7Si4(116) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H8Si4(10), H7Si4(116); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H8Si4(10)+HSi4(176)=H7Si4(116)+H2Si4(175) 1.948e+02 3.620 -0.129
2244. H9Si4(38) + H2Si4(175) ⇔ H10Si4(33) + HSi4(176) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -0.13
G298 (kcal/mol) = -2.84
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(175), HSi4(176); H9Si4(38), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H9Si4(38)+H2Si4(175)=H10Si4(33)+HSi4(176) 3.896e+02 3.620 -0.129
2245. H7Si3(37) + H2Si4(175) ⇔ Si3H8(12) + HSi4(176) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(175), HSi4(176); H7Si3(37), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H7Si3(37)+H2Si4(175)=Si3H8(12)+HSi4(176) 3.896e+02 3.620 -0.129
2422. H6Si3(2) + HSi4(176) ⇔ H5Si3(26) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H6Si3(2), H5Si3(26); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H6Si3(2)+HSi4(176)=H5Si3(26)+H2Si4(175) 1.948e+02 3.620 -0.129
2613. H4Si3(28) + HSi4(176) ⇔ H3Si3(128) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H4Si3(28), H3Si3(128); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H4Si3(28)+HSi4(176)=H3Si3(128)+H2Si4(175) 1.948e+02 3.620 -0.129
3213. H4Si4(121) + HSi4(176) ⇔ H3Si4(190) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H4Si4(121), H3Si4(190); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H4Si4(121)+HSi4(176)=H3Si4(190)+H2Si4(175) 1.753e+03 3.620 -0.129
3568. H6Si4(61) + HSi4(176) ⇔ H5Si4(220) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H6Si4(61), H5Si4(220); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+HSi4(176)=H5Si4(220)+H2Si4(175) 1.753e+03 3.620 -0.129
3859. H6Si4(80) + HSi4(176) ⇔ H2Si4(175) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -1.39
G298 (kcal/mol) = -6.95
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H6Si4(80), H5Si4(212); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+HSi4(176)=H2Si4(175)+H5Si4(212) 3.507e+03 3.620 -0.129
4114. H4Si4(169) + HSi4(176) ⇔ H3Si4(170) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H4Si4(169), H3Si4(170); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H4Si4(169)+HSi4(176)=H3Si4(170)+H2Si4(175) 7.792e+02 3.620 -0.129
4358. HSi4(176) + H4Si4(162) ⇔ H3Si4(179) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H4Si4(162), H3Si4(179); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 HSi4(176)+H4Si4(162)=H3Si4(179)+H2Si4(175) 1.558e+03 3.620 -0.129
4590. H5Si4(167) + H2Si4(175) ⇔ HSi4(176) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(175), HSi4(176); H5Si4(167), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H5Si4(167)+H2Si4(175)=HSi4(176)+H6Si4(160) 3.896e+02 3.620 -0.129
4781. HSi4(176) + H6Si4(125) ⇔ H5Si4(139) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: HSi4(176), H2Si4(175); H6Si4(125), H5Si4(139); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 HSi4(176)+H6Si4(125)=H5Si4(139)+H2Si4(175) 1.558e+03 3.620 -0.129
1505. SiH3(7) + H2Si4(178) ⇔ SiH4(3) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -3.53
G298 (kcal/mol) = -15.60
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H2Si4(178), HSi4(180); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(7)+H2Si4(178)=SiH4(3)+HSi4(180) 7.792e+02 3.620 -0.129
1512. Si2H5(8) + H2Si4(178) ⇔ Si2H6(4) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H2Si4(178), HSi4(180); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si2H5(8)+H2Si4(178)=Si2H6(4)+HSi4(180) 7.792e+02 3.620 -0.129
1535. SiH(15) + H2Si4(178) ⇔ SiH2(5) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.5-2.3-1.6-1.2
Arrhenius(A=(800000,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 1.65
G298 (kcal/mol) = -3.97
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H2Si4(178), HSi4(180); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 8 SiH(15)+H2Si4(178)=SiH2(5)+HSi4(180) 8.000e+05 0.000 10.000
1546. H7Si3(36) + H2Si4(178) ⇔ Si3H8(12) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H2Si4(178), HSi4(180); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(36)+H2Si4(178)=Si3H8(12)+HSi4(180) 7.792e+02 3.620 -0.129
1553. SiH3SiH(6) + HSi4(180) ⇔ H3Si2(23) + H2Si4(178) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); HSi4(180), H2Si4(178); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+HSi4(180)=H3Si2(23)+H2Si4(178) 1.753e+03 3.620 -0.129
1572. H6Si4(90) + HSi4(180) ⇔ H5Si4(55) + H2Si4(178) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); HSi4(180), H2Si4(178); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si4(90)+HSi4(180)=H5Si4(55)+H2Si4(178) 1.948e+02 3.620 -0.129
1586. H2Si3(119) + HSi4(180) ⇔ HSi3(112) + H2Si4(178) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); HSi4(180), H2Si4(178); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si3(119)+HSi4(180)=HSi3(112)+H2Si4(178) 1.948e+02 3.620 -0.129
1591. H9Si4(35) + H2Si4(178) ⇔ H10Si4(33) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -11.69
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H2Si4(178), HSi4(180); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(35)+H2Si4(178)=H10Si4(33)+HSi4(180) 7.792e+02 3.620 -0.129
1599. H4Si3(62) + HSi4(180) ⇔ H3Si3(53) + H2Si4(178) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); HSi4(180), H2Si4(178); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+HSi4(180)=H3Si3(53)+H2Si4(178) 1.948e+02 3.620 -0.129
1609. Si2H2(19) + HSi4(180) ⇔ HSi2(88) + H2Si4(178) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -2.97
G298 (kcal/mol) = -2.64
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); HSi4(180), H2Si4(178); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+HSi4(180)=HSi2(88)+H2Si4(178) 3.896e+02 3.620 -0.129
1614. H2Si4(178) + H7Si4(124) ⇔ cSi4H8(9) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -6.46
G298 (kcal/mol) = -8.33
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H2Si4(178), HSi4(180); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H2Si4(178)+H7Si4(124)=cSi4H8(9)+HSi4(180) 7.792e+02 3.620 -0.129
1623. H8Si4(10) + HSi4(180) ⇔ H7Si4(91) + H2Si4(178) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(1.62981e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(91); HSi4(180), H2Si4(178); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H8Si4(10)+HSi4(180)=H7Si4(91)+H2Si4(178) 7.792e+02 3.620 0.000
1638. H5Si3(24) + H2Si4(178) ⇔ H6Si3(2) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(2.32831e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(178), HSi4(180); H5Si3(24), H6Si3(2); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(24)+H2Si4(178)=H6Si3(2)+HSi4(180) 7.792e+02 3.620 0.000
1740. H2Si4(122) + HSi4(180) ⇔ H2Si4(178) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: HSi4(180), H2Si4(178); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si4(122)+HSi4(180)=H2Si4(178)+HSi4(150) 1.948e+02 3.620 -0.129
1985. SiH3SiH(6) + HSi4(180) ⇔ H3Si2(30) + H2Si4(178) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: HSi4(180), H2Si4(178); SiH3SiH(6), H3Si2(30); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+HSi4(180)=H3Si2(30)+H2Si4(178) 1.948e+02 3.620 -0.129
1986. H8Si4(10) + HSi4(180) ⇔ H7Si4(116) + H2Si4(178) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: HSi4(180), H2Si4(178); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H8Si4(10)+HSi4(180)=H7Si4(116)+H2Si4(178) 1.948e+02 3.620 -0.129
2248. H9Si4(38) + H2Si4(178) ⇔ H10Si4(33) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -3.71
G298 (kcal/mol) = -9.15
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(178), HSi4(180); H9Si4(38), H10Si4(33); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H9Si4(38)+H2Si4(178)=H10Si4(33)+HSi4(180) 7.792e+02 3.620 -0.129
2249. H7Si3(37) + H2Si4(178) ⇔ Si3H8(12) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(178), HSi4(180); H7Si3(37), Si3H8(12); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si3(37)+H2Si4(178)=Si3H8(12)+HSi4(180) 7.792e+02 3.620 -0.129
2424. H6Si3(2) + HSi4(180) ⇔ H5Si3(26) + H2Si4(178) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -2.90
G298 (kcal/mol) = -0.91
! Template reaction: H_Abstraction ! Flux pairs: HSi4(180), H2Si4(178); H6Si3(2), H5Si3(26); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+HSi4(180)=H5Si3(26)+H2Si4(178) 1.948e+02 3.620 -0.129
2615. H4Si3(28) + HSi4(180) ⇔ H2Si4(178) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: HSi4(180), H2Si4(178); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+HSi4(180)=H2Si4(178)+H3Si3(128) 1.948e+02 3.620 -0.129
3215. H4Si4(121) + HSi4(180) ⇔ H2Si4(178) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(3.25963e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: HSi4(180), H2Si4(178); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si4(121)+HSi4(180)=H2Si4(178)+H3Si4(190) 1.753e+03 3.620 0.000
3570. H6Si4(61) + HSi4(180) ⇔ H5Si4(220) + H2Si4(178) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: HSi4(180), H2Si4(178); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+HSi4(180)=H5Si4(220)+H2Si4(178) 1.753e+03 3.620 -0.129
3863. H6Si4(80) + HSi4(180) ⇔ H2Si4(178) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.18
G298 (kcal/mol) = -0.65
! Template reaction: H_Abstraction ! Flux pairs: HSi4(180), H2Si4(178); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+HSi4(180)=H2Si4(178)+H5Si4(212) 3.507e+03 3.620 -0.129
4116. H2Si4(178) + H3Si4(170) ⇔ H4Si4(169) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(178), HSi4(180); H3Si4(170), H4Si4(169); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si4(178)+H3Si4(170)=H4Si4(169)+HSi4(180) 7.792e+02 3.620 0.001
4190. H2(11) + HSi4(180) ⇔ H3Si4(179) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.9+7.8+7.8+7.7
Arrhenius(A=(4.8e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -27.19
S298 (cal/mol*K) = -25.18
G298 (kcal/mol) = -19.69
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H3Si4(179); HSi4(180), H3Si4(179); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 4 H2(11)+HSi4(180)=H3Si4(179) 4.800e+13 0.000 -0.500
4361. HSi4(180) + H4Si4(162) ⇔ H2Si4(178) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: HSi4(180), H2Si4(178); H4Si4(162), H3Si4(179); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 HSi4(180)+H4Si4(162)=H2Si4(178)+H3Si4(179) 1.558e+03 3.620 -0.129
4591. H5Si4(167) + H2Si4(178) ⇔ HSi4(180) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(178), HSi4(180); H5Si4(167), H6Si4(160); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H5Si4(167)+H2Si4(178)=HSi4(180)+H6Si4(160) 7.792e+02 3.620 -0.129
4782. H2Si4(178) + H5Si4(139) ⇔ HSi4(180) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(178), HSi4(180); H5Si4(139), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si4(178)+H5Si4(139)=HSi4(180)+H6Si4(125) 7.792e+02 3.620 0.001
4888. HSi4(176) ⇔ HSi4(180) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.3+6.6+6.7+6.8
Arrhenius(A=(7.9e+12,'cm^3/(mol*s)'), n=0, Ea=(5.3095,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K'), comment="""Estimated using template (SiRSiH) for rate rule (SiSiSiH)""")
H298 (kcal/mol) = -14.88
S298 (cal/mol*K) = -39.71
G298 (kcal/mol) = -3.05
! Template reaction: Silylene_to_Silene ! Flux pairs: HSi4(176), HSi4(180); ! Estimated using template (SiRSiH) for rate rule (SiSiSiH) HSi4(176)=HSi4(180) 7.900e+06 0.000 1.269 DUPLICATE
4889. HSi4(180) ⇔ HSi4(176) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +0.4+3.6+4.7+5.3
Arrhenius(A=(7.9e+12,'cm^3/(mol*s)'), n=0, Ea=(62.2537,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K'), comment="""Estimated using template (SiRSiH) for rate rule (SiSiSiH)""")
H298 (kcal/mol) = 14.88
S298 (cal/mol*K) = 39.71
G298 (kcal/mol) = 3.05
! Template reaction: Silylene_to_Silene ! Flux pairs: HSi4(180), HSi4(176); ! Estimated using template (SiRSiH) for rate rule (SiSiSiH) HSi4(180)=HSi4(176) 7.900e+06 0.000 14.879 DUPLICATE
5039. HSi4(176) + H2Si4(178) ⇔ HSi4(180) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(178), HSi4(180); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 HSi4(176)+H2Si4(178)=HSi4(180)+H2Si4(175) 7.792e+02 3.620 -0.129
1410. SiH3(7) + H4Si4(169) ⇔ SiH4(3) + H3Si4(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.28
S298 (cal/mol*K) = 0.05
G298 (kcal/mol) = -9.30
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H4Si4(169), H3Si4(171); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) SiH3(7)+H4Si4(169)=SiH4(3)+H3Si4(171) 1.948e+02 3.620 -0.129
1413. Si2H5(8) + H4Si4(169) ⇔ Si2H6(4) + H3Si4(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H4Si4(169), H3Si4(171); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Si2H5(8)+H4Si4(169)=Si2H6(4)+H3Si4(171) 1.948e+02 3.620 -0.129
1416. SiH2(5) + H3Si4(171) ⇔ SiH(15) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -2.33
! Template reaction: H_Abstraction ! Flux pairs: SiH2(5), SiH(15); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H3Si4(171)=SiH(15)+H4Si4(169) 7.792e+02 3.620 -0.129
1419. H7Si3(36) + H4Si4(169) ⇔ Si3H8(12) + H3Si4(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H4Si4(169), H3Si4(171); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H7Si3(36)+H4Si4(169)=Si3H8(12)+H3Si4(171) 1.948e+02 3.620 -0.129
1422. SiH3SiH(6) + H3Si4(171) ⇔ H3Si2(23) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H3Si4(171)=H3Si2(23)+H4Si4(169) 1.753e+03 3.620 -0.129
1431. H6Si4(90) + H3Si4(171) ⇔ H5Si4(55) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H6Si4(90)+H3Si4(171)=H5Si4(55)+H4Si4(169) 1.948e+02 3.620 -0.129
1437. H2Si3(119) + H3Si4(171) ⇔ H4Si4(169) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H2Si3(119)+H3Si4(171)=H4Si4(169)+HSi3(112) 1.948e+02 3.620 -0.129
1440. H9Si4(35) + H4Si4(169) ⇔ H10Si4(33) + H3Si4(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H4Si4(169), H3Si4(171); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H9Si4(35)+H4Si4(169)=H10Si4(33)+H3Si4(171) 1.948e+02 3.620 -0.129
1443. H4Si3(62) + H3Si4(171) ⇔ H3Si3(53) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H4Si3(62)+H3Si4(171)=H3Si3(53)+H4Si4(169) 1.948e+02 3.620 -0.129
1449. Si2H2(19) + H3Si4(171) ⇔ HSi2(88) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -6.55
G298 (kcal/mol) = -8.94
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H3Si4(171)=HSi2(88)+H4Si4(169) 3.896e+02 3.620 -0.129
1452. H4Si4(169) + H7Si4(124) ⇔ cSi4H8(9) + H3Si4(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -2.89
G298 (kcal/mol) = -2.02
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H4Si4(169), H3Si4(171); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H4Si4(169)+H7Si4(124)=cSi4H8(9)+H3Si4(171) 1.948e+02 3.620 -0.129
1455. H8Si4(10) + H3Si4(171) ⇔ H7Si4(91) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(91); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(10)+H3Si4(171)=H7Si4(91)+H4Si4(169) 7.792e+02 3.620 -0.129
1634. H6Si3(2) + H3Si4(171) ⇔ H5Si3(24) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H6Si3(2), H5Si3(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H3Si4(171)=H5Si3(24)+H4Si4(169) 7.792e+02 3.620 -0.129
1736. H2Si4(122) + H3Si4(171) ⇔ H4Si4(169) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H2Si4(122), HSi4(150); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H2Si4(122)+H3Si4(171)=H4Si4(169)+HSi4(150) 1.948e+02 3.620 -0.129
1976. SiH3SiH(6) + H3Si4(171) ⇔ H3Si2(30) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); SiH3SiH(6), H3Si2(30); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) SiH3SiH(6)+H3Si4(171)=H3Si2(30)+H4Si4(169) 1.948e+02 3.620 -0.129
1979. H8Si4(10) + H3Si4(171) ⇔ H7Si4(116) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H8Si4(10), H7Si4(116); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H8Si4(10)+H3Si4(171)=H7Si4(116)+H4Si4(169) 1.948e+02 3.620 -0.129
2239. H9Si4(38) + H4Si4(169) ⇔ H10Si4(33) + H3Si4(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -0.13
G298 (kcal/mol) = -2.84
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(169), H3Si4(171); H9Si4(38), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H9Si4(38)+H4Si4(169)=H10Si4(33)+H3Si4(171) 1.948e+02 3.620 -0.129
2242. H7Si3(37) + H4Si4(169) ⇔ Si3H8(12) + H3Si4(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(169), H3Si4(171); H7Si3(37), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H7Si3(37)+H4Si4(169)=Si3H8(12)+H3Si4(171) 1.948e+02 3.620 -0.129
2420. H6Si3(2) + H3Si4(171) ⇔ H5Si3(26) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H6Si3(2), H5Si3(26); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H6Si3(2)+H3Si4(171)=H5Si3(26)+H4Si4(169) 1.948e+02 3.620 -0.129
2611. H4Si3(28) + H3Si4(171) ⇔ H4Si4(169) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H4Si3(28), H3Si3(128); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H4Si3(28)+H3Si4(171)=H4Si4(169)+H3Si3(128) 1.948e+02 3.620 -0.129
3211. H4Si4(121) + H3Si4(171) ⇔ H4Si4(169) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H4Si4(121), H3Si4(190); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H4Si4(121)+H3Si4(171)=H4Si4(169)+H3Si4(190) 1.753e+03 3.620 -0.129
3566. H6Si4(61) + H3Si4(171) ⇔ H5Si4(220) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H6Si4(61), H5Si4(220); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H3Si4(171)=H5Si4(220)+H4Si4(169) 1.753e+03 3.620 -0.129
3854. H6Si4(80) + H3Si4(171) ⇔ H4Si4(169) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -1.39
G298 (kcal/mol) = -6.95
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H6Si4(80), H5Si4(212); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H3Si4(171)=H4Si4(169)+H5Si4(212) 3.507e+03 3.620 -0.129
4112. H4Si4(169) + H3Si4(171) ⇔ H4Si4(169) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H4Si4(169), H3Si4(170); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H4Si4(169)+H3Si4(171)=H4Si4(169)+H3Si4(170) 7.792e+02 3.620 -0.129
4192. H3Si4(171) ⇔ H3Si4(179) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +0.5+3.7+4.8+5.3
Arrhenius(A=(7.9e+12,'cm^3/(mol*s)'), n=0, Ea=(61.0398,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K'), comment="""Estimated using template (SiRSiH) for rate rule (SiSiSiH) Ea raised from 58.7 to 61.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 14.03
S298 (cal/mol*K) = 4.10
G298 (kcal/mol) = 12.81
! Template reaction: Silylene_to_Silene ! Flux pairs: H3Si4(171), H3Si4(179); ! Estimated using template (SiRSiH) for rate rule (SiSiSiH) ! Ea raised from 58.7 to 61.0 kJ/mol to match endothermicity of reaction. H3Si4(171)=H3Si4(179) 7.900e+06 0.000 14.589
4353. H4Si4(162) + H3Si4(171) ⇔ H4Si4(169) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H4Si4(162), H3Si4(179); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H4Si4(162)+H3Si4(171)=H4Si4(169)+H3Si4(179) 1.558e+03 3.620 -0.129
4588. H5Si4(167) + H4Si4(169) ⇔ H6Si4(160) + H3Si4(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(169), H3Si4(171); H5Si4(167), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H5Si4(167)+H4Si4(169)=H6Si4(160)+H3Si4(171) 1.948e+02 3.620 -0.129
4779. H6Si4(125) + H3Si4(171) ⇔ H4Si4(169) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H6Si4(125), H5Si4(139); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H6Si4(125)+H3Si4(171)=H4Si4(169)+H5Si4(139) 1.558e+03 3.620 -0.129
4911. H2(11) + HSi4(176) ⇔ H3Si4(171) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.10
S298 (cal/mol*K) = -68.99
G298 (kcal/mol) = -35.54
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H3Si4(171); HSi4(176), H3Si4(171); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+HSi4(176)=H3Si4(171) 2.400e+13 0.000 -0.500
5032. H2Si4(175) + H3Si4(171) ⇔ H4Si4(169) + HSi4(176) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.5
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) Multiplied by reaction path degeneracy 2 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H2Si4(175), HSi4(176); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) ! Multiplied by reaction path degeneracy 2 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H2Si4(175)+H3Si4(171)=H4Si4(169)+HSi4(176) 3.896e+02 3.620 0.001
5318. H2Si4(178) + H3Si4(171) ⇔ H4Si4(169) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(171), H4Si4(169); H2Si4(178), HSi4(180); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H2Si4(178)+H3Si4(171)=H4Si4(169)+HSi4(180) 7.792e+02 3.620 -0.129
1411. SiH3(7) + H4Si4(169) ⇔ SiH4(3) + H3Si4(172) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.28
S298 (cal/mol*K) = 0.05
G298 (kcal/mol) = -9.30
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H4Si4(169), H3Si4(172); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) SiH3(7)+H4Si4(169)=SiH4(3)+H3Si4(172) 1.948e+02 3.620 -0.129
1414. Si2H5(8) + H4Si4(169) ⇔ Si2H6(4) + H3Si4(172) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H4Si4(169), H3Si4(172); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Si2H5(8)+H4Si4(169)=Si2H6(4)+H3Si4(172) 1.948e+02 3.620 -0.129
1417. SiH2(5) + H3Si4(172) ⇔ SiH(15) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -2.33
! Template reaction: H_Abstraction ! Flux pairs: SiH2(5), SiH(15); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H3Si4(172)=SiH(15)+H4Si4(169) 7.792e+02 3.620 -0.129
1420. H7Si3(36) + H4Si4(169) ⇔ Si3H8(12) + H3Si4(172) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H4Si4(169), H3Si4(172); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H7Si3(36)+H4Si4(169)=Si3H8(12)+H3Si4(172) 1.948e+02 3.620 -0.129
1423. SiH3SiH(6) + H3Si4(172) ⇔ H3Si2(23) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H3Si4(172)=H3Si2(23)+H4Si4(169) 1.753e+03 3.620 -0.129
1432. H6Si4(90) + H3Si4(172) ⇔ H5Si4(55) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H6Si4(90)+H3Si4(172)=H5Si4(55)+H4Si4(169) 1.948e+02 3.620 -0.129
1438. H2Si3(119) + H3Si4(172) ⇔ H4Si4(169) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H2Si3(119)+H3Si4(172)=H4Si4(169)+HSi3(112) 1.948e+02 3.620 -0.129
1441. H9Si4(35) + H4Si4(169) ⇔ H10Si4(33) + H3Si4(172) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H4Si4(169), H3Si4(172); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H9Si4(35)+H4Si4(169)=H10Si4(33)+H3Si4(172) 1.948e+02 3.620 -0.129
1444. H4Si3(62) + H3Si4(172) ⇔ H3Si3(53) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H4Si3(62)+H3Si4(172)=H3Si3(53)+H4Si4(169) 1.948e+02 3.620 -0.129
1450. Si2H2(19) + H3Si4(172) ⇔ HSi2(88) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -6.55
G298 (kcal/mol) = -8.94
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H3Si4(172)=HSi2(88)+H4Si4(169) 3.896e+02 3.620 -0.129
1453. H4Si4(169) + H7Si4(124) ⇔ cSi4H8(9) + H3Si4(172) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -2.89
G298 (kcal/mol) = -2.02
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H4Si4(169), H3Si4(172); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H4Si4(169)+H7Si4(124)=cSi4H8(9)+H3Si4(172) 1.948e+02 3.620 -0.129
1456. H8Si4(10) + H3Si4(172) ⇔ H7Si4(91) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(91); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(10)+H3Si4(172)=H7Si4(91)+H4Si4(169) 7.792e+02 3.620 -0.129
1635. H6Si3(2) + H3Si4(172) ⇔ H5Si3(24) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H6Si3(2), H5Si3(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H3Si4(172)=H5Si3(24)+H4Si4(169) 7.792e+02 3.620 -0.129
1737. H2Si4(122) + H3Si4(172) ⇔ H4Si4(169) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H2Si4(122), HSi4(150); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H2Si4(122)+H3Si4(172)=H4Si4(169)+HSi4(150) 1.948e+02 3.620 -0.129
1977. SiH3SiH(6) + H3Si4(172) ⇔ H3Si2(30) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); SiH3SiH(6), H3Si2(30); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) SiH3SiH(6)+H3Si4(172)=H3Si2(30)+H4Si4(169) 1.948e+02 3.620 -0.129
1980. H8Si4(10) + H3Si4(172) ⇔ H7Si4(116) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H8Si4(10), H7Si4(116); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H8Si4(10)+H3Si4(172)=H7Si4(116)+H4Si4(169) 1.948e+02 3.620 -0.129
2240. H9Si4(38) + H4Si4(169) ⇔ H10Si4(33) + H3Si4(172) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -0.13
G298 (kcal/mol) = -2.84
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(169), H3Si4(172); H9Si4(38), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H9Si4(38)+H4Si4(169)=H10Si4(33)+H3Si4(172) 1.948e+02 3.620 -0.129
2243. H7Si3(37) + H4Si4(169) ⇔ Si3H8(12) + H3Si4(172) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(169), H3Si4(172); H7Si3(37), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H7Si3(37)+H4Si4(169)=Si3H8(12)+H3Si4(172) 1.948e+02 3.620 -0.129
2421. H6Si3(2) + H3Si4(172) ⇔ H5Si3(26) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H6Si3(2), H5Si3(26); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H6Si3(2)+H3Si4(172)=H5Si3(26)+H4Si4(169) 1.948e+02 3.620 -0.129
2612. H4Si3(28) + H3Si4(172) ⇔ H4Si4(169) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H4Si3(28), H3Si3(128); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H4Si3(28)+H3Si4(172)=H4Si4(169)+H3Si3(128) 1.948e+02 3.620 -0.129
3212. H4Si4(121) + H3Si4(172) ⇔ H4Si4(169) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H4Si4(121), H3Si4(190); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H4Si4(121)+H3Si4(172)=H4Si4(169)+H3Si4(190) 1.753e+03 3.620 -0.129
3567. H6Si4(61) + H3Si4(172) ⇔ H5Si4(220) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H6Si4(61), H5Si4(220); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H3Si4(172)=H5Si4(220)+H4Si4(169) 1.753e+03 3.620 -0.129
3855. H6Si4(80) + H3Si4(172) ⇔ H4Si4(169) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -1.39
G298 (kcal/mol) = -6.95
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H6Si4(80), H5Si4(212); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H3Si4(172)=H4Si4(169)+H5Si4(212) 3.507e+03 3.620 -0.129
4113. H4Si4(169) + H3Si4(172) ⇔ H4Si4(169) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H4Si4(169), H3Si4(170); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H4Si4(169)+H3Si4(172)=H4Si4(169)+H3Si4(170) 7.792e+02 3.620 -0.129
4354. H4Si4(162) + H3Si4(172) ⇔ H4Si4(169) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H4Si4(162), H3Si4(179); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H4Si4(162)+H3Si4(172)=H4Si4(169)+H3Si4(179) 1.558e+03 3.620 -0.129
4589. H5Si4(167) + H4Si4(169) ⇔ H6Si4(160) + H3Si4(172) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(169), H3Si4(172); H5Si4(167), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H5Si4(167)+H4Si4(169)=H6Si4(160)+H3Si4(172) 1.948e+02 3.620 -0.129
4780. H6Si4(125) + H3Si4(172) ⇔ H4Si4(169) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H6Si4(125), H5Si4(139); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H6Si4(125)+H3Si4(172)=H4Si4(169)+H5Si4(139) 1.558e+03 3.620 -0.129
4910. H2(11) + HSi4(176) ⇔ H3Si4(172) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.10
S298 (cal/mol*K) = -68.99
G298 (kcal/mol) = -35.54
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H3Si4(172); HSi4(176), H3Si4(172); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+HSi4(176)=H3Si4(172) 2.400e+13 0.000 -0.500
5033. H3Si4(172) + H2Si4(175) ⇔ H4Si4(169) + HSi4(176) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.5
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) Multiplied by reaction path degeneracy 2 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H2Si4(175), HSi4(176); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) ! Multiplied by reaction path degeneracy 2 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H3Si4(172)+H2Si4(175)=H4Si4(169)+HSi4(176) 3.896e+02 3.620 0.001
5319. H2Si4(178) + H3Si4(172) ⇔ H4Si4(169) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H2Si4(178), HSi4(180); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H2Si4(178)+H3Si4(172)=H4Si4(169)+HSi4(180) 7.792e+02 3.620 -0.129
5555. H4Si4(169) + H3Si4(171) ⇔ H4Si4(169) + H3Si4(172) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad)""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(169), H3Si4(172); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) H4Si4(169)+H3Si4(171)=H4Si4(169)+H3Si4(172) 1.948e+02 3.620 -0.129
1777. SiH3(7) + H4Si4(173) ⇔ SiH4(3) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.28
S298 (cal/mol*K) = 1.43
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(7)+H4Si4(173)=SiH4(3)+H3Si4(191) 7.792e+02 3.620 -0.129
1788. Si2H5(8) + H4Si4(173) ⇔ Si2H6(4) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = -5.80
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si2H5(8)+H4Si4(173)=Si2H6(4)+H3Si4(191) 7.792e+02 3.620 -0.129
1830. SiH2(5) + H3Si4(191) ⇔ SiH(15) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -6.60
G298 (kcal/mol) = -1.92
! Template reaction: H_Abstraction ! Flux pairs: SiH2(5), SiH(15); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H3Si4(191)=SiH(15)+H4Si4(173) 7.792e+02 3.620 -0.129
1847. H7Si3(36) + H4Si4(173) ⇔ Si3H8(12) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = -5.80
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(36)+H4Si4(173)=Si3H8(12)+H3Si4(191) 7.792e+02 3.620 -0.129
1858. SiH3SiH(6) + H3Si4(191) ⇔ H3Si2(23) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.15
G298 (kcal/mol) = -6.13
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H3Si4(191)=H3Si2(23)+H4Si4(173) 1.753e+03 3.620 -0.129
1893. H6Si4(90) + H3Si4(191) ⇔ H5Si4(55) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H6Si4(90)+H3Si4(191)=H5Si4(55)+H4Si4(173) 1.948e+02 3.620 -0.129
1905. H2Si3(119) + H3Si4(191) ⇔ HSi3(112) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H2Si3(119)+H3Si4(191)=HSi3(112)+H4Si4(173) 1.948e+02 3.620 -0.129
1918. H9Si4(35) + H4Si4(173) ⇔ H10Si4(33) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = -5.80
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(35)+H4Si4(173)=H10Si4(33)+H3Si4(191) 7.792e+02 3.620 -0.129
1931. H4Si3(62) + H3Si4(191) ⇔ H3Si3(53) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H4Si3(62)+H3Si4(191)=H3Si3(53)+H4Si4(173) 1.948e+02 3.620 -0.129
1943. Si2H2(19) + H3Si4(191) ⇔ HSi2(88) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H3Si4(191)=HSi2(88)+H4Si4(173) 3.896e+02 3.620 -0.129
1954. H7Si4(124) + H4Si4(173) ⇔ cSi4H8(9) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -1.51
G298 (kcal/mol) = -2.43
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si4(124)+H4Si4(173)=cSi4H8(9)+H3Si4(191) 7.792e+02 3.620 -0.129
1970. H8Si4(10) + H3Si4(191) ⇔ H7Si4(91) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(91); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(10)+H3Si4(191)=H7Si4(91)+H4Si4(173) 7.792e+02 3.620 -0.129
1997. H6Si3(2) + H3Si4(191) ⇔ H5Si3(24) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(2), H5Si3(24); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H3Si4(191)=H5Si3(24)+H4Si4(173) 7.792e+02 3.620 -0.129
2004. H2Si4(122) + H3Si4(191) ⇔ HSi4(150) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -9.30
G298 (kcal/mol) = -8.12
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(122), HSi4(150); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H2Si4(122)+H3Si4(191)=HSi4(150)+H4Si4(173) 1.948e+02 3.620 -0.129
2012. SiH3SiH(6) + H3Si4(191) ⇔ H3Si2(30) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) SiH3SiH(6)+H3Si4(191)=H3Si2(30)+H4Si4(173) 1.948e+02 3.620 -0.129
2016. H8Si4(10) + H3Si4(191) ⇔ H7Si4(116) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(116); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H8Si4(10)+H3Si4(191)=H7Si4(116)+H4Si4(173) 1.948e+02 3.620 -0.129
2290. H9Si4(38) + H4Si4(173) ⇔ H10Si4(33) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(173), H3Si4(191); H9Si4(38), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H9Si4(38)+H4Si4(173)=H10Si4(33)+H3Si4(191) 7.792e+02 3.620 -0.129
2291. H7Si3(37) + H4Si4(173) ⇔ Si3H8(12) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = -3.66
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(173), H3Si4(191); H7Si3(37), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si3(37)+H4Si4(173)=Si3H8(12)+H3Si4(191) 7.792e+02 3.620 -0.129
2444. H6Si3(2) + H3Si4(191) ⇔ H5Si3(26) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(191), H4Si4(173); H6Si3(2), H5Si3(26); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H6Si3(2)+H3Si4(191)=H5Si3(26)+H4Si4(173) 1.948e+02 3.620 -0.129
2637. H4Si3(28) + H3Si4(191) ⇔ H3Si3(128) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -9.30
G298 (kcal/mol) = -8.12
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(191), H4Si4(173); H4Si3(28), H3Si3(128); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H4Si3(28)+H3Si4(191)=H3Si3(128)+H4Si4(173) 1.948e+02 3.620 -0.129
3236. H4Si4(121) + H3Si4(191) ⇔ H3Si4(190) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.15
G298 (kcal/mol) = -6.13
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(191), H4Si4(173); H4Si4(121), H3Si4(190); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H4Si4(121)+H3Si4(191)=H3Si4(190)+H4Si4(173) 1.753e+03 3.620 -0.129
3596. H6Si4(61) + H3Si4(191) ⇔ H5Si4(220) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.15
G298 (kcal/mol) = -6.13
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(191), H4Si4(173); H6Si4(61), H5Si4(220); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H3Si4(191)=H5Si4(220)+H4Si4(173) 1.753e+03 3.620 -0.129
3893. H6Si4(80) + H3Si4(191) ⇔ H4Si4(173) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(191), H4Si4(173); H6Si4(80), H5Si4(212); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H3Si4(191)=H4Si4(173)+H5Si4(212) 3.507e+03 3.620 -0.129
4020. H3Si4(170) ⇔ H3Si4(191) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) -6.3+0.3+2.5+3.6
Arrhenius(A=(7.9e+12,'cm^3/(mol*s)'), n=0, Ea=(126.236,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K'), comment="""Estimated using template (SiRSiH) for rate rule (SiSiSiH) Ea raised from 125.7 to 126.2 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 30.05
S298 (cal/mol*K) = 6.78
G298 (kcal/mol) = 28.03
! Template reaction: Silylene_to_Silene ! Flux pairs: H3Si4(170), H3Si4(191); ! Estimated using template (SiRSiH) for rate rule (SiSiSiH) ! Ea raised from 125.7 to 126.2 kJ/mol to match endothermicity of reaction. H3Si4(170)=H3Si4(191) 7.900e+06 0.000 30.171
4133. H4Si4(169) + H3Si4(191) ⇔ H3Si4(170) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(191), H4Si4(173); H4Si4(169), H3Si4(170); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H4Si4(169)+H3Si4(191)=H3Si4(170)+H4Si4(173) 7.792e+02 3.620 -0.129
4387. H4Si4(162) + H3Si4(191) ⇔ H3Si4(179) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(191), H4Si4(173); H4Si4(162), H3Si4(179); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H4Si4(162)+H3Si4(191)=H3Si4(179)+H4Si4(173) 1.558e+03 3.620 -0.129
4608. H5Si4(167) + H4Si4(173) ⇔ H6Si4(160) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = -3.66
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(173), H3Si4(191); H5Si4(167), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H5Si4(167)+H4Si4(173)=H6Si4(160)+H3Si4(191) 7.792e+02 3.620 -0.129
4803. H6Si4(125) + H3Si4(191) ⇔ H5Si4(139) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(191), H4Si4(173); H6Si4(125), H5Si4(139); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H6Si4(125)+H3Si4(191)=H5Si4(139)+H4Si4(173) 1.558e+03 3.620 -0.129
5061. HSi4(176) + H4Si4(173) ⇔ H3Si4(191) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(2.32831e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(173), H3Si4(191); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. HSi4(176)+H4Si4(173)=H3Si4(191)+H2Si4(175) 7.792e+02 3.620 0.000
5346. H2Si4(178) + H3Si4(191) ⇔ HSi4(180) + H4Si4(173) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(191), H4Si4(173); H2Si4(178), HSi4(180); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H2Si4(178)+H3Si4(191)=HSi4(180)+H4Si4(173) 7.792e+02 3.620 -0.129
5467. H3Si4(171) ⇔ H3Si4(191) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +2.8+7.8+9.4+10.3
Arrhenius(A=(6.02e+12,'1/s'), n=0, Ea=(95.7027,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 2 Ea raised from 94.9 to 95.7 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 22.68
S298 (cal/mol*K) = 3.20
G298 (kcal/mol) = 21.73
! Template reaction: Silylene_to_Silene ! Flux pairs: H3Si4(171), H3Si4(191); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 2 ! Ea raised from 94.9 to 95.7 kJ/mol to match endothermicity of reaction. H3Si4(171)=H3Si4(191) 6.020e+12 0.000 22.874
5572. H4Si4(173) + H3Si4(171) ⇔ H4Si4(169) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(173), H3Si4(191); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si4(173)+H3Si4(171)=H4Si4(169)+H3Si4(191) 7.792e+02 3.620 0.001
5658. H3Si4(172) ⇔ H3Si4(191) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +2.8+7.8+9.4+10.3
Arrhenius(A=(6.02e+12,'1/s'), n=0, Ea=(95.7027,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 2 Ea raised from 94.9 to 95.7 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 22.68
S298 (cal/mol*K) = 3.20
G298 (kcal/mol) = 21.73
! Template reaction: Silylene_to_Silene ! Flux pairs: H3Si4(172), H3Si4(191); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 2 ! Ea raised from 94.9 to 95.7 kJ/mol to match endothermicity of reaction. H3Si4(172)=H3Si4(191) 6.020e+12 0.000 22.874
5904. H3Si4(172) + H4Si4(173) ⇔ H4Si4(169) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(172), H4Si4(169); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H3Si4(172)+H4Si4(173)=H4Si4(169)+H3Si4(191) 7.792e+02 3.620 0.001
1370. SiH3(7) + H6Si4(160) ⇔ SiH4(3) + H5Si4(168) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -9.28
S298 (cal/mol*K) = 0.05
G298 (kcal/mol) = -9.30
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H6Si4(160), H5Si4(168); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) ! Multiplied by reaction path degeneracy 2 SiH3(7)+H6Si4(160)=SiH4(3)+H5Si4(168) 3.896e+02 3.620 -0.129
1372. Si2H5(8) + H6Si4(160) ⇔ Si2H6(4) + H5Si4(168) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H6Si4(160), H5Si4(168); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 Si2H5(8)+H6Si4(160)=Si2H6(4)+H5Si4(168) 3.896e+02 3.620 -0.129
1374. SiH2(5) + H5Si4(168) ⇔ SiH(15) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -2.33
! Template reaction: H_Abstraction ! Flux pairs: SiH2(5), SiH(15); H5Si4(168), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H5Si4(168)=SiH(15)+H6Si4(160) 7.792e+02 3.620 -0.129
1376. H7Si3(36) + H6Si4(160) ⇔ Si3H8(12) + H5Si4(168) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H6Si4(160), H5Si4(168); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H7Si3(36)+H6Si4(160)=Si3H8(12)+H5Si4(168) 3.896e+02 3.620 -0.129
1378. SiH3SiH(6) + H5Si4(168) ⇔ H3Si2(23) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H5Si4(168), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H5Si4(168)=H3Si2(23)+H6Si4(160) 1.753e+03 3.620 -0.129
1384. H6Si4(90) + H5Si4(168) ⇔ H5Si4(55) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H5Si4(168), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H6Si4(90)+H5Si4(168)=H5Si4(55)+H6Si4(160) 1.948e+02 3.620 -0.129
1388. H2Si3(119) + H5Si4(168) ⇔ HSi3(112) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H5Si4(168), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H2Si3(119)+H5Si4(168)=HSi3(112)+H6Si4(160) 1.948e+02 3.620 -0.129
1390. H9Si4(35) + H6Si4(160) ⇔ H10Si4(33) + H5Si4(168) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H6Si4(160), H5Si4(168); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H9Si4(35)+H6Si4(160)=H10Si4(33)+H5Si4(168) 3.896e+02 3.620 -0.129
1392. H4Si3(62) + H5Si4(168) ⇔ H3Si3(53) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H5Si4(168), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H4Si3(62)+H5Si4(168)=H3Si3(53)+H6Si4(160) 1.948e+02 3.620 -0.129
1396. Si2H2(19) + H5Si4(168) ⇔ HSi2(88) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -6.55
G298 (kcal/mol) = -8.94
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H5Si4(168), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H5Si4(168)=HSi2(88)+H6Si4(160) 3.896e+02 3.620 -0.129
1398. H6Si4(160) + H7Si4(124) ⇔ cSi4H8(9) + H5Si4(168) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -2.89
G298 (kcal/mol) = -2.02
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H6Si4(160), H5Si4(168); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H6Si4(160)+H7Si4(124)=cSi4H8(9)+H5Si4(168) 3.896e+02 3.620 -0.129
1400. H8Si4(10) + H5Si4(168) ⇔ H7Si4(91) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(91); H5Si4(168), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(10)+H5Si4(168)=H7Si4(91)+H6Si4(160) 7.792e+02 3.620 -0.129
1632. H6Si3(2) + H5Si4(168) ⇔ H5Si3(24) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H6Si3(2), H5Si3(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H5Si4(168)=H5Si3(24)+H6Si4(160) 7.792e+02 3.620 -0.129
1734. H2Si4(122) + H5Si4(168) ⇔ HSi4(150) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H2Si4(122), HSi4(150); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H2Si4(122)+H5Si4(168)=HSi4(150)+H6Si4(160) 1.948e+02 3.620 -0.129
1972. SiH3SiH(6) + H5Si4(168) ⇔ H3Si2(30) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); SiH3SiH(6), H3Si2(30); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) SiH3SiH(6)+H5Si4(168)=H3Si2(30)+H6Si4(160) 1.948e+02 3.620 -0.129
1974. H8Si4(10) + H5Si4(168) ⇔ H7Si4(116) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H8Si4(10), H7Si4(116); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H8Si4(10)+H5Si4(168)=H7Si4(116)+H6Si4(160) 1.948e+02 3.620 -0.129
2235. H9Si4(38) + H6Si4(160) ⇔ H10Si4(33) + H5Si4(168) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -0.13
G298 (kcal/mol) = -2.84
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(160), H5Si4(168); H9Si4(38), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H9Si4(38)+H6Si4(160)=H10Si4(33)+H5Si4(168) 3.896e+02 3.620 -0.129
2237. H7Si3(37) + H6Si4(160) ⇔ Si3H8(12) + H5Si4(168) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(160), H5Si4(168); H7Si3(37), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H7Si3(37)+H6Si4(160)=Si3H8(12)+H5Si4(168) 3.896e+02 3.620 -0.129
2418. H6Si3(2) + H5Si4(168) ⇔ H5Si3(26) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H6Si3(2), H5Si3(26); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H6Si3(2)+H5Si4(168)=H5Si3(26)+H6Si4(160) 1.948e+02 3.620 -0.129
2609. H4Si3(28) + H5Si4(168) ⇔ H6Si4(160) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H4Si3(28), H3Si3(128); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) H4Si3(28)+H5Si4(168)=H6Si4(160)+H3Si3(128) 1.948e+02 3.620 -0.129
3209. H4Si4(121) + H5Si4(168) ⇔ H6Si4(160) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H4Si4(121), H3Si4(190); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H4Si4(121)+H5Si4(168)=H6Si4(160)+H3Si4(190) 1.753e+03 3.620 -0.129
3564. H6Si4(61) + H5Si4(168) ⇔ H5Si4(220) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H6Si4(61), H5Si4(220); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H5Si4(168)=H5Si4(220)+H6Si4(160) 1.753e+03 3.620 -0.129
3850. H6Si4(80) + H5Si4(168) ⇔ H6Si4(160) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -1.39
G298 (kcal/mol) = -6.95
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H6Si4(80), H5Si4(212); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H5Si4(168)=H6Si4(160)+H5Si4(212) 3.507e+03 3.620 -0.129
4111. H5Si4(168) + H4Si4(169) ⇔ H6Si4(160) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H4Si4(169), H3Si4(170); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H5Si4(168)+H4Si4(169)=H6Si4(160)+H3Si4(170) 7.792e+02 3.620 -0.129
4350. H5Si4(168) + H4Si4(162) ⇔ H3Si4(179) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H4Si4(162), H3Si4(179); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H5Si4(168)+H4Si4(162)=H3Si4(179)+H6Si4(160) 1.558e+03 3.620 -0.129
4587. H5Si4(167) + H6Si4(160) ⇔ H5Si4(168) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(160), H5Si4(168); H5Si4(167), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H5Si4(167)+H6Si4(160)=H5Si4(168)+H6Si4(160) 3.896e+02 3.620 -0.129
4778. H5Si4(168) + H6Si4(125) ⇔ H5Si4(139) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H6Si4(125), H5Si4(139); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H5Si4(168)+H6Si4(125)=H5Si4(139)+H6Si4(160) 1.558e+03 3.620 -0.129
5029. HSi4(176) + H6Si4(160) ⇔ H5Si4(168) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(160), H5Si4(168); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) ! Multiplied by reaction path degeneracy 2 HSi4(176)+H6Si4(160)=H5Si4(168)+H2Si4(175) 3.896e+02 3.620 -0.129
5315. H5Si4(168) + H2Si4(178) ⇔ HSi4(180) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H2Si4(178), HSi4(180); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 H5Si4(168)+H2Si4(178)=HSi4(180)+H6Si4(160) 7.792e+02 3.620 -0.129
5478. H2(11) + H3Si4(171) ⇔ H5Si4(168) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -21.20
S298 (cal/mol*K) = -27.33
G298 (kcal/mol) = -13.05
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H5Si4(168); H3Si4(171), H5Si4(168); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H3Si4(171)=H5Si4(168) 2.400e+13 0.000 -0.500
5554. H6Si4(160) + H3Si4(171) ⇔ H5Si4(168) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(160), H5Si4(168); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) ! Multiplied by reaction path degeneracy 2 H6Si4(160)+H3Si4(171)=H5Si4(168)+H4Si4(169) 3.896e+02 3.620 -0.129
5692. H2(11) + H3Si4(172) ⇔ H5Si4(168) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -21.20
S298 (cal/mol*K) = -27.33
G298 (kcal/mol) = -13.05
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H5Si4(168); H3Si4(172), H5Si4(168); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H3Si4(172)=H5Si4(168) 2.400e+13 0.000 -0.500
5900. H6Si4(160) + H3Si4(172) ⇔ H5Si4(168) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(160), H5Si4(168); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) ! Multiplied by reaction path degeneracy 2 H6Si4(160)+H3Si4(172)=H5Si4(168)+H4Si4(169) 3.896e+02 3.620 -0.129
5901. H5Si4(168) + H4Si4(173) ⇔ H6Si4(160) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(168), H6Si4(160); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si4(168)+H4Si4(173)=H6Si4(160)+H3Si4(191) 7.792e+02 3.620 0.001
1000. H2(11) + H5Si4(138) ⇔ H7Si4(124) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -53.50
S298 (cal/mol*K) = -25.90
G298 (kcal/mol) = -45.78
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H7Si4(124); H5Si4(138), H7Si4(124); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H5Si4(138)=H7Si4(124) 2.400e+13 0.000 -0.500
1220. SiH3(7) + H6Si4(125) ⇔ SiH4(3) + H5Si4(138) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.40
S298 (cal/mol*K) = -1.20
G298 (kcal/mol) = -6.04
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H6Si4(125), H5Si4(138); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(7)+H6Si4(125)=SiH4(3)+H5Si4(138) 7.792e+02 3.620 -0.129
1227. Si2H5(8) + H6Si4(125) ⇔ Si2H6(4) + H5Si4(138) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -2.13
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H6Si4(125), H5Si4(138); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si2H5(8)+H6Si4(125)=Si2H6(4)+H5Si4(138) 7.792e+02 3.620 -0.129
1251. SiH2(5) + H5Si4(138) ⇔ SiH(15) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.77
S298 (cal/mol*K) = -3.98
G298 (kcal/mol) = -5.59
! Template reaction: H_Abstraction ! Flux pairs: SiH2(5), SiH(15); H5Si4(138), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H5Si4(138)=SiH(15)+H6Si4(125) 7.792e+02 3.620 -0.129
1261. H7Si3(36) + H6Si4(125) ⇔ Si3H8(12) + H5Si4(138) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -2.13
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H6Si4(125), H5Si4(138); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(36)+H6Si4(125)=Si3H8(12)+H5Si4(138) 7.792e+02 3.620 -0.129
1270. SiH3SiH(6) + H5Si4(138) ⇔ H3Si2(23) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = -9.80
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(23); H5Si4(138), H6Si4(125); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H5Si4(138)=H3Si2(23)+H6Si4(125) 1.753e+03 3.620 -0.129
1295. H6Si4(90) + H5Si4(138) ⇔ H5Si4(55) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H5Si4(138), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si4(90)+H5Si4(138)=H5Si4(55)+H6Si4(125) 1.948e+02 3.620 -0.129
1313. H2Si3(119) + H5Si4(138) ⇔ HSi3(112) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H5Si4(138), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si3(119)+H5Si4(138)=HSi3(112)+H6Si4(125) 1.948e+02 3.620 -0.129
1320. H9Si4(35) + H6Si4(125) ⇔ H10Si4(33) + H5Si4(138) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.50
S298 (cal/mol*K) = -1.24
G298 (kcal/mol) = -2.13
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H6Si4(125), H5Si4(138); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(35)+H6Si4(125)=H10Si4(33)+H5Si4(138) 7.792e+02 3.620 -0.129
1330. H4Si3(62) + H5Si4(138) ⇔ H3Si3(53) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H5Si4(138), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H5Si4(138)=H3Si3(53)+H6Si4(125) 1.948e+02 3.620 -0.129
1344. Si2H2(19) + H5Si4(138) ⇔ HSi2(88) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -13.78
S298 (cal/mol*K) = -5.30
G298 (kcal/mol) = -12.20
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H5Si4(138), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H5Si4(138)=HSi2(88)+H6Si4(125) 3.896e+02 3.620 -0.129
1351. cSi4H8(9) + H5Si4(138) ⇔ H7Si4(124) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.4
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 16 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 4.13
G298 (kcal/mol) = -1.23
! Template reaction: H_Abstraction ! Flux pairs: cSi4H8(9), H7Si4(124); H5Si4(138), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 16 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. cSi4H8(9)+H5Si4(138)=H7Si4(124)+H6Si4(125) 3.117e+03 3.620 0.000
1360. H8Si4(10) + H5Si4(138) ⇔ H7Si4(91) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H8Si4(10), H7Si4(91); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(10)+H5Si4(138)=H7Si4(91)+H6Si4(125) 7.792e+02 3.620 -0.129
1621. H6Si3(2) + H5Si4(138) ⇔ H5Si3(24) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H6Si3(2), H5Si3(24); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H5Si4(138)=H5Si3(24)+H6Si4(125) 7.792e+02 3.620 -0.129
1726. H2Si4(122) + H5Si4(138) ⇔ HSi4(150) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -13.78
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -11.79
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H2Si4(122), HSi4(150); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si4(122)+H5Si4(138)=HSi4(150)+H6Si4(125) 1.948e+02 3.620 -0.129
1955. SiH3SiH(6) + H5Si4(138) ⇔ H3Si2(30) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); SiH3SiH(6), H3Si2(30); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H5Si4(138)=H3Si2(30)+H6Si4(125) 1.948e+02 3.620 -0.129
1957. H8Si4(10) + H5Si4(138) ⇔ H7Si4(116) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H8Si4(10), H7Si4(116); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H8Si4(10)+H5Si4(138)=H7Si4(116)+H6Si4(125) 1.948e+02 3.620 -0.129
2216. H10Si4(33) + H5Si4(138) ⇔ H9Si4(38) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H10Si4(33), H9Si4(38); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H10Si4(33)+H5Si4(138)=H9Si4(38)+H6Si4(125) 1.558e+03 3.620 0.001
2218. Si3H8(12) + H5Si4(138) ⇔ H7Si3(37) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); Si3H8(12), H7Si3(37); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. Si3H8(12)+H5Si4(138)=H7Si3(37)+H6Si4(125) 7.792e+02 3.620 0.001
2408. H6Si3(2) + H5Si4(138) ⇔ H5Si3(26) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -12.03
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -10.47
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H6Si3(2), H5Si3(26); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H5Si4(138)=H5Si3(26)+H6Si4(125) 1.948e+02 3.620 -0.129
2599. H4Si3(28) + H5Si4(138) ⇔ H6Si4(125) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -13.78
S298 (cal/mol*K) = -6.68
G298 (kcal/mol) = -11.79
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H5Si4(138)=H6Si4(125)+H3Si3(128) 1.948e+02 3.620 -0.129
3199. H4Si4(121) + H5Si4(138) ⇔ H6Si4(125) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = -9.80
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H4Si4(121), H3Si4(190); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H4Si4(121)+H5Si4(138)=H6Si4(125)+H3Si4(190) 1.753e+03 3.620 -0.129
3553. H6Si4(61) + H5Si4(138) ⇔ H5Si4(220) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -1.53
G298 (kcal/mol) = -9.80
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H6Si4(61), H5Si4(220); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H5Si4(138)=H5Si4(220)+H6Si4(125) 1.753e+03 3.620 -0.129
3834. H6Si4(80) + H5Si4(138) ⇔ H6Si4(125) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -0.15
G298 (kcal/mol) = -10.21
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H5Si4(138)=H6Si4(125)+H5Si4(212) 3.507e+03 3.620 -0.129
4102. H4Si4(169) + H5Si4(138) ⇔ H6Si4(125) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H4Si4(169), H3Si4(170); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H4Si4(169)+H5Si4(138)=H6Si4(125)+H3Si4(170) 7.792e+02 3.620 -0.129
4216. H2(11) + H3Si4(179) ⇔ H5Si4(138) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -19.15
S298 (cal/mol*K) = -32.18
G298 (kcal/mol) = -9.56
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H5Si4(138); H3Si4(179), H5Si4(138); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+H3Si4(179)=H5Si4(138) 2.400e+13 0.000 -0.500
4335. H5Si4(138) + H4Si4(162) ⇔ H3Si4(179) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -0.95
G298 (kcal/mol) = -9.97
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H4Si4(162), H3Si4(179); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H5Si4(138)+H4Si4(162)=H3Si4(179)+H6Si4(125) 1.558e+03 3.620 -0.129
4499. H5Si4(138) ⇔ H5Si4(167) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.7+11.9+12.3+12.5
Arrhenius(A=(1.204e+13,'1/s'), n=0, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -13.20
S298 (cal/mol*K) = -0.50
G298 (kcal/mol) = -13.05
! Template reaction: Silylene_to_Silene ! Flux pairs: H5Si4(138), H5Si4(167); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 4 H5Si4(138)=H5Si4(167) 1.204e+13 0.000 5.500
4579. H5Si4(138) + H6Si4(160) ⇔ H5Si4(167) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H6Si4(160), H5Si4(167); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H5Si4(138)+H6Si4(160)=H5Si4(167)+H6Si4(125) 1.558e+03 3.620 -0.129
4770. H5Si4(138) + H6Si4(125) ⇔ H5Si4(139) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H6Si4(125), H5Si4(139); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H5Si4(138)+H6Si4(125)=H5Si4(139)+H6Si4(125) 1.558e+03 3.620 -0.129
5017. H5Si4(138) + H2Si4(175) ⇔ HSi4(176) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H2Si4(175), HSi4(176); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H5Si4(138)+H2Si4(175)=HSi4(176)+H6Si4(125) 3.896e+02 3.620 -0.129
5303. H2Si4(178) + H5Si4(138) ⇔ HSi4(180) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H2Si4(178), HSi4(180); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H2Si4(178)+H5Si4(138)=HSi4(180)+H6Si4(125) 7.792e+02 3.620 -0.129
5547. H4Si4(169) + H5Si4(138) ⇔ H6Si4(125) + H3Si4(171) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H4Si4(169), H3Si4(171); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H4Si4(169)+H5Si4(138)=H6Si4(125)+H3Si4(171) 1.948e+02 3.620 -0.129
5880. H4Si4(169) + H5Si4(138) ⇔ H6Si4(125) + H3Si4(172) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H4Si4(169), H3Si4(172); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H4Si4(169)+H5Si4(138)=H6Si4(125)+H3Si4(172) 1.948e+02 3.620 -0.129
5881. H5Si4(138) + H4Si4(173) ⇔ H6Si4(125) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = -3.66
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H5Si4(138)+H4Si4(173)=H6Si4(125)+H3Si4(191) 7.792e+02 3.620 -0.129
6286. H5Si4(138) + H6Si4(160) ⇔ H5Si4(168) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H5Si4(138), H6Si4(125); H6Si4(160), H5Si4(168); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 H5Si4(138)+H6Si4(160)=H5Si4(168)+H6Si4(125) 3.896e+02 3.620 -0.129
102. SiH3SiH(6) + SiH2Si(16) ⇔ H6Si4(46) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -26.60
S298 (cal/mol*K) = -37.71
G298 (kcal/mol) = -15.36
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(6), H6Si4(46); SiH2Si(16), H6Si4(46); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(6)+SiH2Si(16)=H6Si4(46) 5.580e+14 0.000 -0.454
130. H6Si4(46) + H2(11) ⇔ H8Si4(41) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -53.20
S298 (cal/mol*K) = -32.22
G298 (kcal/mol) = -43.60
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H8Si4(41); H6Si4(46), H8Si4(41); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H6Si4(46)+H2(11)=H8Si4(41) 7.600e+12 0.000 0.800
3371. H6Si4(46) ⇔ H6Si4(50) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+10.5+11.1+11.4
Arrhenius(A=(2e+12,'1/s'), n=0, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiHSiH2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.80
S298 (cal/mol*K) = -3.94
G298 (kcal/mol) = -9.63
! Template reaction: Silylene_to_Silene ! Flux pairs: H6Si4(46), H6Si4(50); ! Exact match found for rate rule (SiHSiH2) ! Multiplied by reaction path degeneracy 2 H6Si4(46)=H6Si4(50) 2.000e+12 0.000 8.100
4000. H4Si2(13) + Si2H2(19) ⇔ H6Si4(46) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.7+6.7+6.0+5.7
Arrhenius(A=(48000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -38.82
S298 (cal/mol*K) = -32.64
G298 (kcal/mol) = -29.09
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si2(13), H6Si4(46); Si2H2(19), H6Si4(46); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 8 H4Si2(13)+Si2H2(19)=H6Si4(46) 4.800e+10 0.000 -9.100
2313. SiH3(7) + H4Si4(161) ⇔ SiH4(3) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -16.65
S298 (cal/mol*K) = -2.15
G298 (kcal/mol) = -16.01
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H4Si4(161), H3Si4(199); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 8 SiH3(7)+H4Si4(161)=SiH4(3)+H3Si4(199) 1.558e+03 3.620 -0.129
2318. Si2H5(8) + H4Si4(161) ⇔ Si2H6(4) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = -12.10
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H4Si4(161), H3Si4(199); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 Si2H5(8)+H4Si4(161)=Si2H6(4)+H3Si4(199) 1.558e+03 3.620 -0.129
2336. SiH(15) + H4Si4(161) ⇔ SiH2(5) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -4.2-2.0-1.3-0.9
Arrhenius(A=(1.6e+06,'cm^3/(mol*s)'), n=0, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K'), comment="""Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -3.48
S298 (cal/mol*K) = 3.03
G298 (kcal/mol) = -4.38
! Template reaction: H_Abstraction ! Flux pairs: SiH(15), SiH2(5); H4Si4(161), H3Si4(199); ! Estimated using template (X_H;Y_rad_birad_trirad_quadrad) for rate rule (Sis_H;SiH_doublet) ! Multiplied by reaction path degeneracy 16 SiH(15)+H4Si4(161)=SiH2(5)+H3Si4(199) 1.600e+06 0.000 10.000
2346. H7Si3(36) + H4Si4(161) ⇔ Si3H8(12) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = -12.10
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(36), Si3H8(12); H4Si4(161), H3Si4(199); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H7Si3(36)+H4Si4(161)=Si3H8(12)+H3Si4(199) 1.558e+03 3.620 -0.129
2352. H3Si2(23) + H4Si4(161) ⇔ SiH3SiH(6) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.57
G298 (kcal/mol) = -0.17
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(23), SiH3SiH(6); H4Si4(161), H3Si4(199); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H3Si2(23)+H4Si4(161)=SiH3SiH(6)+H3Si4(199) 1.558e+03 3.620 0.001
2368. H6Si4(90) + H3Si4(199) ⇔ H5Si4(55) + H4Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H6Si4(90), H5Si4(55); H3Si4(199), H4Si4(161); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si4(90)+H3Si4(199)=H5Si4(55)+H4Si4(161) 1.948e+02 3.620 -0.129
2379. H2Si3(119) + H3Si4(199) ⇔ HSi3(112) + H4Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H2Si3(119), HSi3(112); H3Si4(199), H4Si4(161); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si3(119)+H3Si4(199)=HSi3(112)+H4Si4(161) 1.948e+02 3.620 -0.129
2383. H9Si4(35) + H4Si4(161) ⇔ H10Si4(33) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -12.75
S298 (cal/mol*K) = -2.19
G298 (kcal/mol) = -12.10
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(35), H10Si4(33); H4Si4(161), H3Si4(199); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H9Si4(35)+H4Si4(161)=H10Si4(33)+H3Si4(199) 1.558e+03 3.620 -0.129
2390. H4Si3(62) + H3Si4(199) ⇔ H3Si3(53) + H4Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H4Si3(62), H3Si3(53); H3Si4(199), H4Si4(161); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(62)+H3Si4(199)=H3Si3(53)+H4Si4(161) 1.948e+02 3.620 -0.129
2398. Si2H2(19) + H3Si4(199) ⇔ HSi2(88) + H4Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -4.35
G298 (kcal/mol) = -2.23
! Template reaction: H_Abstraction ! Flux pairs: Si2H2(19), HSi2(88); H3Si4(199), H4Si4(161); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+H3Si4(199)=HSi2(88)+H4Si4(161) 3.896e+02 3.620 -0.129
2402. H4Si4(161) + H7Si4(124) ⇔ cSi4H8(9) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -5.09
G298 (kcal/mol) = -8.74
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(124), cSi4H8(9); H4Si4(161), H3Si4(199); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H4Si4(161)+H7Si4(124)=cSi4H8(9)+H3Si4(199) 1.558e+03 3.620 -0.129
2410. H7Si4(91) + H4Si4(161) ⇔ H8Si4(10) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(4.65661e-13,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(91), H8Si4(10); H4Si4(161), H3Si4(199); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H7Si4(91)+H4Si4(161)=H8Si4(10)+H3Si4(199) 1.558e+03 3.620 0.000
2425. H5Si3(24) + H4Si4(161) ⇔ H6Si3(2) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(4.19095e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(24), H6Si3(2); H4Si4(161), H3Si4(199); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(24)+H4Si4(161)=H6Si3(2)+H3Si4(199) 1.558e+03 3.620 0.000
2430. H2Si4(122) + H3Si4(199) ⇔ HSi4(150) + H4Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.72
G298 (kcal/mol) = -1.82
! Template reaction: H_Abstraction ! Flux pairs: H2Si4(122), HSi4(150); H3Si4(199), H4Si4(161); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H2Si4(122)+H3Si4(199)=HSi4(150)+H4Si4(161) 1.948e+02 3.620 -0.129
2434. SiH3SiH(6) + H3Si4(199) ⇔ H3Si2(30) + H4Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(6), H3Si2(30); H3Si4(199), H4Si4(161); ! Estimated using an average for rate rule (Sis_H;Sis_rad) SiH3SiH(6)+H3Si4(199)=H3Si2(30)+H4Si4(161) 1.948e+02 3.620 -0.129
2438. H8Si4(10) + H3Si4(199) ⇔ H7Si4(116) + H4Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(10), H7Si4(116); H3Si4(199), H4Si4(161); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H8Si4(10)+H3Si4(199)=H7Si4(116)+H4Si4(161) 1.948e+02 3.620 -0.129
2445. H9Si4(38) + H4Si4(161) ⇔ H10Si4(33) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -2.33
G298 (kcal/mol) = -9.56
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(38), H10Si4(33); H4Si4(161), H3Si4(199); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H9Si4(38)+H4Si4(161)=H10Si4(33)+H3Si4(199) 1.558e+03 3.620 -0.129
2452. H7Si3(37) + H4Si4(161) ⇔ Si3H8(12) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -0.95
G298 (kcal/mol) = -9.97
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(37), Si3H8(12); H4Si4(161), H3Si4(199); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H7Si3(37)+H4Si4(161)=Si3H8(12)+H3Si4(199) 1.558e+03 3.620 -0.129
2457. H6Si3(2) + H3Si4(199) ⇔ H5Si3(26) + H4Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -1.78
S298 (cal/mol*K) = -4.28
G298 (kcal/mol) = -0.50
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(199), H4Si4(161); H6Si3(2), H5Si3(26); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H6Si3(2)+H3Si4(199)=H5Si3(26)+H4Si4(161) 1.948e+02 3.620 -0.129
2650. H4Si3(28) + H3Si4(199) ⇔ H4Si4(161) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad)""")
H298 (kcal/mol) = -3.52
S298 (cal/mol*K) = -5.72
G298 (kcal/mol) = -1.82
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(199), H4Si4(161); H4Si3(28), H3Si3(128); ! Estimated using an average for rate rule (Sis_H;Sis_rad) H4Si3(28)+H3Si4(199)=H4Si4(161)+H3Si3(128) 1.948e+02 3.620 -0.129
3249. H4Si4(161) + H3Si4(190) ⇔ H4Si4(121) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.57
G298 (kcal/mol) = -0.17
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); H3Si4(190), H4Si4(121); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si4(161)+H3Si4(190)=H4Si4(121)+H3Si4(199) 1.558e+03 3.620 -0.129
3611. H5Si4(220) + H4Si4(161) ⇔ H6Si4(61) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(2.32831e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.57
G298 (kcal/mol) = -0.17
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); H5Si4(220), H6Si4(61); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si4(220)+H4Si4(161)=H6Si4(61)+H3Si4(199) 1.558e+03 3.620 0.000
3913. H6Si4(80) + H3Si4(199) ⇔ H4Si4(161) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(199), H4Si4(161); H6Si4(80), H5Si4(212); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H6Si4(80)+H3Si4(199)=H4Si4(161)+H5Si4(212) 3.507e+03 3.620 -0.129
4021. H3Si4(199) ⇔ H3Si4(170) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.7+11.9+12.3+12.5
Arrhenius(A=(1.204e+13,'1/s'), n=0, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -45.82
S298 (cal/mol*K) = -5.94
G298 (kcal/mol) = -44.05
! Template reaction: Silylene_to_Silene ! Flux pairs: H3Si4(199), H3Si4(170); ! Exact match found for rate rule (SiSiSiH2) ! Multiplied by reaction path degeneracy 4 H3Si4(199)=H3Si4(170) 1.204e+13 0.000 5.500
4144. H4Si4(161) + H3Si4(170) ⇔ H4Si4(169) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); H3Si4(170), H4Si4(169); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si4(161)+H3Si4(170)=H4Si4(169)+H3Si4(199) 1.558e+03 3.620 0.001
4405. H4Si4(162) + H3Si4(199) ⇔ H3Si4(179) + H4Si4(161) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H3Si4(199), H4Si4(161); H4Si4(162), H3Si4(179); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H4Si4(162)+H3Si4(199)=H3Si4(179)+H4Si4(161) 1.558e+03 3.620 -0.129
4619. H5Si4(167) + H4Si4(161) ⇔ H6Si4(160) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -0.95
G298 (kcal/mol) = -9.97
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); H5Si4(167), H6Si4(160); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H5Si4(167)+H4Si4(161)=H6Si4(160)+H3Si4(199) 1.558e+03 3.620 -0.129
4676. H2(11) + H3Si4(199) ⇔ H5Si4(139) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.9+7.8+7.8+7.7
Arrhenius(A=(4.8e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -53.82
S298 (cal/mol*K) = -32.77
G298 (kcal/mol) = -44.05
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H5Si4(139); H3Si4(199), H5Si4(139); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 4 H2(11)+H3Si4(199)=H5Si4(139) 4.800e+13 0.000 -0.500
4816. H5Si4(139) + H4Si4(161) ⇔ H6Si4(125) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); H5Si4(139), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si4(139)+H4Si4(161)=H6Si4(125)+H3Si4(199) 1.558e+03 3.620 0.001
5077. HSi4(176) + H4Si4(161) ⇔ H2Si4(175) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 HSi4(176)+H4Si4(161)=H2Si4(175)+H3Si4(199) 1.558e+03 3.620 -0.129
5197. H2(11) + HSi4(180) ⇔ H3Si4(199) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -2.77
S298 (cal/mol*K) = -26.92
G298 (kcal/mol) = 5.25
! Template reaction: Silylene_Insertion ! Flux pairs: H2(11), H3Si4(199); HSi4(180), H3Si4(199); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(11)+HSi4(180)=H3Si4(199) 2.400e+13 0.000 -0.500
5362. HSi4(180) + H4Si4(161) ⇔ H2Si4(178) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); HSi4(180), H2Si4(178); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. HSi4(180)+H4Si4(161)=H2Si4(178)+H3Si4(199) 1.558e+03 3.620 0.000
5583. H4Si4(161) + H3Si4(171) ⇔ H4Si4(169) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H4Si4(161)+H3Si4(171)=H4Si4(169)+H3Si4(199) 1.558e+03 3.620 -0.129
5978. H4Si4(161) + H3Si4(172) ⇔ H4Si4(169) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H4Si4(161)+H3Si4(172)=H4Si4(169)+H3Si4(199) 1.558e+03 3.620 -0.129
5979. H4Si4(161) + H3Si4(191) ⇔ H4Si4(173) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); H3Si4(191), H4Si4(173); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H4Si4(161)+H3Si4(191)=H4Si4(173)+H3Si4(199) 1.558e+03 3.620 -0.129
6326. H5Si4(168) + H4Si4(161) ⇔ H6Si4(160) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); H5Si4(168), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 8 H5Si4(168)+H4Si4(161)=H6Si4(160)+H3Si4(199) 1.558e+03 3.620 -0.129
6544. H5Si4(138) + H4Si4(161) ⇔ H6Si4(125) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.25
S298 (cal/mol*K) = -0.95
G298 (kcal/mol) = -9.97
! Template reaction: H_Abstraction ! Flux pairs: H4Si4(161), H3Si4(199); H5Si4(138), H6Si4(125); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H5Si4(138)+H4Si4(161)=H6Si4(125)+H3Si4(199) 1.558e+03 3.620 -0.129
103. SiH3(7) + SiH2Si(16) ⇔ SiH4(3) + HSi2(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.28
S298 (cal/mol*K) = 1.43
G298 (kcal/mol) = -9.71
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); SiH2Si(16), HSi2(42); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(7)+SiH2Si(16)=SiH4(3)+HSi2(42) 7.792e+02 3.620 -0.129
105. Si2H5(8) + SiH2Si(16) ⇔ Si2H6(4) + HSi2(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = -5.80
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); SiH2Si(16), HSi2(42); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si2H5(8)+SiH2Si(16)=Si2H6(4)+HSi2(42) 7.792e+02 3.620 -0.129
209. SiH2(5) + HSi2(42) ⇔ SiH(15) + SiH2Si(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -6.60
G298 (kcal/mol) = -1.92
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); SiH2(5), SiH(15); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(5)+HSi2(42)=SiH(15)+SiH2Si(16) 7.792e+02 3.620 -0.129
277. SiH2Si(16) + H7Si3(36) ⇔ Si3H8(12) + HSi2(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = -5.80
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); H7Si3(36), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2Si(16)+H7Si3(36)=Si3H8(12)+HSi2(42) 7.792e+02 3.620 -0.129
342. SiH3SiH(6) + HSi2(42) ⇔ SiH2Si(16) + H3Si2(23) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.15
G298 (kcal/mol) = -6.13
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); SiH3SiH(6), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+HSi2(42)=SiH2Si(16)+H3Si2(23) 1.753e+03 3.620 -0.129
474. HSi2(42) + H6Si4(90) ⇔ H5Si4(55) + SiH2Si(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H6Si4(90), H5Si4(55); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) HSi2(42)+H6Si4(90)=H5Si4(55)+SiH2Si(16) 1.948e+02 3.620 -0.129
658. HSi2(42) + H2Si3(119) ⇔ SiH2Si(16) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H2Si3(119), HSi3(112); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) HSi2(42)+H2Si3(119)=SiH2Si(16)+HSi3(112) 1.948e+02 3.620 -0.129
807. SiH2Si(16) + H9Si4(35) ⇔ H10Si4(33) + HSi2(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 1.39
G298 (kcal/mol) = -5.80
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); H9Si4(35), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2Si(16)+H9Si4(35)=H10Si4(33)+HSi2(42) 7.792e+02 3.620 -0.129
808. H4Si3(62) + HSi2(42) ⇔ H3Si3(53) + SiH2Si(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H4Si3(62), H3Si3(53); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H4Si3(62)+HSi2(42)=H3Si3(53)+SiH2Si(16) 1.948e+02 3.620 -0.129
1053. Si2H2(19) + HSi2(42) ⇔ SiH2Si(16) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); Si2H2(19), HSi2(88); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 Si2H2(19)+HSi2(42)=SiH2Si(16)+HSi2(88) 3.896e+02 3.620 -0.129
1056. SiH2Si(16) + H7Si4(124) ⇔ cSi4H8(9) + HSi2(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -1.51
G298 (kcal/mol) = -2.43
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); H7Si4(124), cSi4H8(9); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2Si(16)+H7Si4(124)=cSi4H8(9)+HSi2(42) 7.792e+02 3.620 -0.129
1238. H8Si4(10) + HSi2(42) ⇔ SiH2Si(16) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H8Si4(10), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H8Si4(10)+HSi2(42)=SiH2Si(16)+H7Si4(91) 7.792e+02 3.620 -0.129
1522. H6Si3(2) + HSi2(42) ⇔ SiH2Si(16) + H5Si3(24) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H6Si3(2), H5Si3(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+HSi2(42)=SiH2Si(16)+H5Si3(24) 7.792e+02 3.620 -0.129
1665. HSi2(42) + H2Si4(122) ⇔ SiH2Si(16) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -9.30
G298 (kcal/mol) = -8.12
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H2Si4(122), HSi4(150); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) HSi2(42)+H2Si4(122)=SiH2Si(16)+HSi4(150) 1.948e+02 3.620 -0.129
1794. SiH3SiH(6) + HSi2(42) ⇔ SiH2Si(16) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); SiH3SiH(6), H3Si2(30); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) SiH3SiH(6)+HSi2(42)=SiH2Si(16)+H3Si2(30) 1.948e+02 3.620 -0.129
1796. H8Si4(10) + HSi2(42) ⇔ SiH2Si(16) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.15
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H8Si4(10), H7Si4(116); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H8Si4(10)+HSi2(42)=SiH2Si(16)+H7Si4(116) 1.948e+02 3.620 -0.129
2055. SiH2Si(16) + H9Si4(38) ⇔ H10Si4(33) + HSi2(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); H9Si4(38), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2Si(16)+H9Si4(38)=H10Si4(33)+HSi2(42) 7.792e+02 3.620 -0.129
2056. SiH2Si(16) + H7Si3(37) ⇔ Si3H8(12) + HSi2(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = -3.66
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); H7Si3(37), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2Si(16)+H7Si3(37)=Si3H8(12)+HSi2(42) 7.792e+02 3.620 -0.129
2325. H6Si3(2) + HSi2(42) ⇔ SiH2Si(16) + H5Si3(26) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -7.85
G298 (kcal/mol) = -6.80
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H6Si3(2), H5Si3(26); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H6Si3(2)+HSi2(42)=SiH2Si(16)+H5Si3(26) 1.948e+02 3.620 -0.129
2501. H4Si3(28) + HSi2(42) ⇔ SiH2Si(16) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -9.30
G298 (kcal/mol) = -8.12
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H4Si3(28), H3Si3(128); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H4Si3(28)+HSi2(42)=SiH2Si(16)+H3Si3(128) 1.948e+02 3.620 -0.129
2665. SiH(15) + HSi2(42) ⇔ H2Si3(119) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -65.91
S298 (cal/mol*K) = -19.12
G298 (kcal/mol) = -60.22
! Template reaction: R_Recombination ! Flux pairs: SiH(15), H2Si3(119); HSi2(42), H2Si3(119); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) SiH(15)+HSi2(42)=H2Si3(119) 7.206e+12 0.101 -0.195
3112. HSi2(42) + H4Si4(121) ⇔ SiH2Si(16) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.15
G298 (kcal/mol) = -6.13
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H4Si4(121), H3Si4(190); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 HSi2(42)+H4Si4(121)=SiH2Si(16)+H3Si4(190) 1.753e+03 3.620 -0.129
3426. H3Si2(30) + HSi2(42) ⇔ H4Si4(121) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -63.57
S298 (cal/mol*K) = -23.74
G298 (kcal/mol) = -56.50
! Template reaction: R_Recombination ! Flux pairs: HSi2(42), H4Si4(121); H3Si2(30), H4Si4(121); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H3Si2(30)+HSi2(42)=H4Si4(121) 7.206e+12 0.101 -0.195
3455. H6Si4(61) + HSi2(42) ⇔ SiH2Si(16) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.15
G298 (kcal/mol) = -6.13
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H6Si4(61), H5Si4(220); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+HSi2(42)=SiH2Si(16)+H5Si4(220) 1.753e+03 3.620 -0.129
3655. HSi2(42) + HSi2(88) ⇔ H2Si4(122) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -56.21
S298 (cal/mol*K) = -17.35
G298 (kcal/mol) = -51.04
! Template reaction: R_Recombination ! Flux pairs: HSi2(88), H2Si4(122); HSi2(42), H2Si4(122); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) HSi2(42)+HSi2(88)=H2Si4(122) 7.206e+12 0.101 -0.195
3701. HSi2(42) + H6Si4(80) ⇔ SiH2Si(16) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H6Si4(80), H5Si4(212); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 18 HSi2(42)+H6Si4(80)=SiH2Si(16)+H5Si4(212) 3.507e+03 3.620 -0.129
4035. HSi2(42) + H4Si4(169) ⇔ SiH2Si(16) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H4Si4(169), H3Si4(170); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 HSi2(42)+H4Si4(169)=SiH2Si(16)+H3Si4(170) 7.792e+02 3.620 -0.129
4220. HSi2(42) + H4Si4(162) ⇔ SiH2Si(16) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H4Si4(162), H3Si4(179); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 HSi2(42)+H4Si4(162)=SiH2Si(16)+H3Si4(179) 1.558e+03 3.620 -0.129
4512. SiH2Si(16) + H5Si4(167) ⇔ HSi2(42) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = -3.66
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); H5Si4(167), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2Si(16)+H5Si4(167)=HSi2(42)+H6Si4(160) 7.792e+02 3.620 -0.129
4690. HSi2(42) + H6Si4(125) ⇔ SiH2Si(16) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H6Si4(125), H5Si4(139); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 HSi2(42)+H6Si4(125)=SiH2Si(16)+H5Si4(139) 1.558e+03 3.620 -0.129
4915. SiH2Si(16) + HSi4(176) ⇔ HSi2(42) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. SiH2Si(16)+HSi4(176)=HSi2(42)+H2Si4(175) 7.792e+02 3.620 0.000
5201. HSi2(42) + H2Si4(178) ⇔ SiH2Si(16) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H2Si4(178), HSi4(180); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 HSi2(42)+H2Si4(178)=SiH2Si(16)+HSi4(180) 7.792e+02 3.620 -0.129
5480. SiH2Si(16) + H3Si4(171) ⇔ HSi2(42) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. SiH2Si(16)+H3Si4(171)=HSi2(42)+H4Si4(169) 7.792e+02 3.620 0.001
5698. SiH2Si(16) + H3Si4(172) ⇔ HSi2(42) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. SiH2Si(16)+H3Si4(172)=HSi2(42)+H4Si4(169) 7.792e+02 3.620 0.001
5699. HSi2(42) + H4Si4(173) ⇔ SiH2Si(16) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(4.65661e-13,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. HSi2(42)+H4Si4(173)=SiH2Si(16)+H3Si4(191) 7.792e+02 3.620 0.000
6206. SiH2Si(16) + H5Si4(168) ⇔ HSi2(42) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); H5Si4(168), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. SiH2Si(16)+H5Si4(168)=HSi2(42)+H6Si4(160) 7.792e+02 3.620 0.001
6445. SiH2Si(16) + H5Si4(138) ⇔ HSi2(42) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 2.62
G298 (kcal/mol) = -3.66
! Template reaction: H_Abstraction ! Flux pairs: SiH2Si(16), HSi2(42); H5Si4(138), H6Si4(125); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2Si(16)+H5Si4(138)=HSi2(42)+H6Si4(125) 7.792e+02 3.620 -0.129
6834. HSi2(42) + H4Si4(161) ⇔ SiH2Si(16) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: HSi2(42), SiH2Si(16); H4Si4(161), H3Si4(199); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 HSi2(42)+H4Si4(161)=SiH2Si(16)+H3Si4(199) 1.558e+03 3.620 -0.129
164. SiH3(7) + H6Si3(27) ⇔ SiH4(3) + H5Si3(65) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.28
S298 (cal/mol*K) = 0.05
G298 (kcal/mol) = -9.30
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H6Si3(27), H5Si3(65); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(7)+H6Si3(27)=SiH4(3)+H5Si3(65) 7.792e+02 3.620 -0.129
169. Si2H5(8) + H6Si3(27) ⇔ Si2H6(4) + H5Si3(65) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H6Si3(27), H5Si3(65); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si2H5(8)+H6Si3(27)=Si2H6(4)+H5Si3(65) 7.792e+02 3.620 -0.129
221. SiH2(5) + H5Si3(65) ⇔ SiH(15) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -2.33
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); SiH2(5), SiH(15); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H5Si3(65)=SiH(15)+H6Si3(27) 7.792e+02 3.620 -0.129
285. H6Si3(27) + H7Si3(36) ⇔ H5Si3(65) + Si3H8(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(65); H7Si3(36), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H7Si3(36)=H5Si3(65)+Si3H8(12) 7.792e+02 3.620 -0.129
310. SiH3(7) + H5Si3(65) ⇔ H8Si4(69) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -71.40
S298 (cal/mol*K) = -42.59
G298 (kcal/mol) = -58.71
! Template reaction: R_Recombination ! Flux pairs: H5Si3(65), H8Si4(69); SiH3(7), H8Si4(69); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) SiH3(7)+H5Si3(65)=H8Si4(69) 7.206e+12 0.101 -0.195
353. SiH3SiH(6) + H5Si3(65) ⇔ H3Si2(23) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); SiH3SiH(6), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H5Si3(65)=H3Si2(23)+H6Si3(27) 1.753e+03 3.620 -0.129
508. H5Si3(65) + H6Si4(90) ⇔ H5Si4(55) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H6Si4(90), H5Si4(55); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H5Si3(65)+H6Si4(90)=H5Si4(55)+H6Si3(27) 1.948e+02 3.620 -0.129
667. H5Si3(65) + H2Si3(119) ⇔ H6Si3(27) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H2Si3(119), HSi3(112); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H5Si3(65)+H2Si3(119)=H6Si3(27)+HSi3(112) 1.948e+02 3.620 -0.129
829. H6Si3(27) + H9Si4(35) ⇔ H5Si3(65) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(65); H9Si4(35), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H9Si4(35)=H5Si3(65)+H10Si4(33) 7.792e+02 3.620 -0.129
832. H5Si3(65) + H4Si3(62) ⇔ H3Si3(53) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H4Si3(62), H3Si3(53); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H5Si3(65)+H4Si3(62)=H3Si3(53)+H6Si3(27) 1.948e+02 3.620 -0.129
1071. H5Si3(65) + Si2H2(19) ⇔ H6Si3(27) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -6.55
G298 (kcal/mol) = -8.94
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); Si2H2(19), HSi2(88); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H5Si3(65)+Si2H2(19)=H6Si3(27)+HSi2(88) 3.896e+02 3.620 -0.129
1074. H6Si3(27) + H7Si4(124) ⇔ H5Si3(65) + cSi4H8(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -2.89
G298 (kcal/mol) = -2.02
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(65); H7Si4(124), cSi4H8(9); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H7Si4(124)=H5Si3(65)+cSi4H8(9) 7.792e+02 3.620 -0.129
1246. H5Si3(65) + H8Si4(10) ⇔ H6Si3(27) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H8Si4(10), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H5Si3(65)+H8Si4(10)=H6Si3(27)+H7Si4(91) 7.792e+02 3.620 -0.129
1530. H6Si3(2) + H5Si3(65) ⇔ H5Si3(24) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H6Si3(2), H5Si3(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H5Si3(65)=H5Si3(24)+H6Si3(27) 7.792e+02 3.620 -0.129
1674. H5Si3(65) + H2Si4(122) ⇔ H6Si3(27) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H2Si4(122), HSi4(150); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H5Si3(65)+H2Si4(122)=H6Si3(27)+HSi4(150) 1.948e+02 3.620 -0.129
1810. SiH3SiH(6) + H5Si3(65) ⇔ H6Si3(27) + H3Si2(30) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); SiH3SiH(6), H3Si2(30); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) SiH3SiH(6)+H5Si3(65)=H6Si3(27)+H3Si2(30) 1.948e+02 3.620 -0.129
1813. H5Si3(65) + H8Si4(10) ⇔ H6Si3(27) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H8Si4(10), H7Si4(116); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H5Si3(65)+H8Si4(10)=H6Si3(27)+H7Si4(116) 1.948e+02 3.620 -0.129
2068. H6Si3(27) + H9Si4(38) ⇔ H5Si3(65) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -0.13
G298 (kcal/mol) = -2.84
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(65); H9Si4(38), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H9Si4(38)=H5Si3(65)+H10Si4(33) 7.792e+02 3.620 -0.129
2071. H7Si3(37) + H6Si3(27) ⇔ H5Si3(65) + Si3H8(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(65); H7Si3(37), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si3(37)+H6Si3(27)=H5Si3(65)+Si3H8(12) 7.792e+02 3.620 -0.129
2332. H6Si3(2) + H5Si3(65) ⇔ H5Si3(26) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H6Si3(2), H5Si3(26); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H6Si3(2)+H5Si3(65)=H5Si3(26)+H6Si3(27) 1.948e+02 3.620 -0.129
2510. H5Si3(65) + H4Si3(28) ⇔ H6Si3(27) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H4Si3(28), H3Si3(128); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H5Si3(65)+H4Si3(28)=H6Si3(27)+H3Si3(128) 1.948e+02 3.620 -0.129
2750. H5Si3(65) + SiH(15) ⇔ H6Si4(90) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -65.91
S298 (cal/mol*K) = -19.12
G298 (kcal/mol) = -60.22
! Template reaction: R_Recombination ! Flux pairs: SiH(15), H6Si4(90); H5Si3(65), H6Si4(90); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si3(65)+SiH(15)=H6Si4(90) 7.206e+12 0.101 -0.195
3121. H5Si3(65) + H4Si4(121) ⇔ H6Si3(27) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H4Si4(121), H3Si4(190); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 H5Si3(65)+H4Si4(121)=H6Si3(27)+H3Si4(190) 1.753e+03 3.620 -0.129
3462. H5Si3(65) + H6Si4(61) ⇔ H6Si3(27) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H6Si4(61), H5Si4(220); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 H5Si3(65)+H6Si4(61)=H6Si3(27)+H5Si4(220) 1.753e+03 3.620 -0.129
3715. H5Si3(65) + H6Si4(80) ⇔ H6Si3(27) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -1.39
G298 (kcal/mol) = -6.95
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H6Si4(80), H5Si4(212); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 18 H5Si3(65)+H6Si4(80)=H6Si3(27)+H5Si4(212) 3.507e+03 3.620 -0.129
4042. H5Si3(65) + H4Si4(169) ⇔ H6Si3(27) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H4Si4(169), H3Si4(170); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H5Si3(65)+H4Si4(169)=H6Si3(27)+H3Si4(170) 7.792e+02 3.620 -0.129
4234. H5Si3(65) + H4Si4(162) ⇔ H6Si3(27) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H4Si4(162), H3Si4(179); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 H5Si3(65)+H4Si4(162)=H6Si3(27)+H3Si4(179) 1.558e+03 3.620 -0.129
4519. H6Si3(27) + H5Si4(167) ⇔ H5Si3(65) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(65); H5Si4(167), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H5Si4(167)=H5Si3(65)+H6Si4(160) 7.792e+02 3.620 -0.129
4697. H5Si3(65) + H6Si4(125) ⇔ H6Si3(27) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H6Si4(125), H5Si4(139); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 H5Si3(65)+H6Si4(125)=H6Si3(27)+H5Si4(139) 1.558e+03 3.620 -0.129
4929. H5Si3(65) + H2Si4(175) ⇔ H6Si3(27) + HSi4(176) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H2Si4(175), HSi4(176); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H5Si3(65)+H2Si4(175)=H6Si3(27)+HSi4(176) 3.896e+02 3.620 -0.129
5215. H5Si3(65) + H2Si4(178) ⇔ H6Si3(27) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H2Si4(178), HSi4(180); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H5Si3(65)+H2Si4(178)=H6Si3(27)+HSi4(180) 7.792e+02 3.620 -0.129
5487. H6Si3(27) + H3Si4(171) ⇔ H5Si3(65) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(65); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si3(27)+H3Si4(171)=H5Si3(65)+H4Si4(169) 7.792e+02 3.620 0.001
5717. H6Si3(27) + H3Si4(172) ⇔ H5Si3(65) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(65); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si3(27)+H3Si4(172)=H5Si3(65)+H4Si4(169) 7.792e+02 3.620 0.001
5720. H5Si3(65) + H4Si4(173) ⇔ H6Si3(27) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(65)+H4Si4(173)=H6Si3(27)+H3Si4(191) 7.792e+02 3.620 0.000
6213. H5Si3(65) + H6Si4(160) ⇔ H6Si3(27) + H5Si4(168) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H6Si4(160), H5Si4(168); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H5Si3(65)+H6Si4(160)=H6Si3(27)+H5Si4(168) 3.896e+02 3.620 -0.129
6452. H6Si3(27) + H5Si4(138) ⇔ H5Si3(65) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(27), H5Si3(65); H5Si4(138), H6Si4(125); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(27)+H5Si4(138)=H5Si3(65)+H6Si4(125) 7.792e+02 3.620 -0.129
6841. H5Si3(65) + H4Si4(161) ⇔ H6Si3(27) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); H4Si4(161), H3Si4(199); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 H5Si3(65)+H4Si4(161)=H6Si3(27)+H3Si4(199) 1.558e+03 3.620 -0.129
7035. SiH4(3) + HSi2(42) ⇔ H5Si3(65) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.65
S298 (cal/mol*K) = -33.78
G298 (kcal/mol) = -11.59
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(3), H5Si3(65); HSi2(42), H5Si3(65); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(3)+HSi2(42)=H5Si3(65) 7.440e+14 0.000 -0.454
7063. H5Si3(65) + SiH2Si(16) ⇔ H6Si3(27) + HSi2(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(1.39698e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(65), H6Si3(27); SiH2Si(16), HSi2(42); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(65)+SiH2Si(16)=H6Si3(27)+HSi2(42) 7.792e+02 3.620 0.000
141. SiH3(7) + H8Si4(41) ⇔ SiH4(3) + H7Si4(59) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.28
S298 (cal/mol*K) = 0.05
G298 (kcal/mol) = -9.30
! Template reaction: H_Abstraction ! Flux pairs: SiH3(7), SiH4(3); H8Si4(41), H7Si4(59); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 4 SiH3(7)+H8Si4(41)=SiH4(3)+H7Si4(59) 7.792e+02 3.620 -0.129
147. Si2H5(8) + H8Si4(41) ⇔ Si2H6(4) + H7Si4(59) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: Si2H5(8), Si2H6(4); H8Si4(41), H7Si4(59); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si2H5(8)+H8Si4(41)=Si2H6(4)+H7Si4(59) 7.792e+02 3.620 -0.129
218. SiH2(5) + H7Si4(59) ⇔ SiH(15) + H8Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.89
S298 (cal/mol*K) = -5.23
G298 (kcal/mol) = -2.33
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); SiH2(5), SiH(15); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(5)+H7Si4(59)=SiH(15)+H8Si4(41) 7.792e+02 3.620 -0.129
282. H7Si3(36) + H8Si4(41) ⇔ H7Si4(59) + Si3H8(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H7Si3(36), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(36)+H8Si4(41)=H7Si4(59)+Si3H8(12) 7.792e+02 3.620 -0.129
350. SiH3SiH(6) + H7Si4(59) ⇔ H3Si2(23) + H8Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); SiH3SiH(6), H3Si2(23); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(6)+H7Si4(59)=H3Si2(23)+H8Si4(41) 1.753e+03 3.620 -0.129
495. H7Si4(59) + H6Si4(90) ⇔ H5Si4(55) + H8Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H6Si4(90), H5Si4(55); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H7Si4(59)+H6Si4(90)=H5Si4(55)+H8Si4(41) 1.948e+02 3.620 -0.129
664. H7Si4(59) + H2Si3(119) ⇔ H8Si4(41) + HSi3(112) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H2Si3(119), HSi3(112); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H7Si4(59)+H2Si3(119)=H8Si4(41)+HSi3(112) 1.948e+02 3.620 -0.129
818. H9Si4(35) + H8Si4(41) ⇔ H7Si4(59) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.38
S298 (cal/mol*K) = 0.01
G298 (kcal/mol) = -5.39
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H9Si4(35), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(35)+H8Si4(41)=H7Si4(59)+H10Si4(33) 7.792e+02 3.620 -0.129
822. H4Si3(62) + H7Si4(59) ⇔ H3Si3(53) + H8Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H4Si3(62), H3Si3(53); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H4Si3(62)+H7Si4(59)=H3Si3(53)+H8Si4(41) 1.948e+02 3.620 -0.129
1064. H7Si4(59) + Si2H2(19) ⇔ H8Si4(41) + HSi2(88) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -6.55
G298 (kcal/mol) = -8.94
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); Si2H2(19), HSi2(88); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 2 H7Si4(59)+Si2H2(19)=H8Si4(41)+HSi2(88) 3.896e+02 3.620 -0.129
1068. H8Si4(41) + H7Si4(124) ⇔ H7Si4(59) + cSi4H8(9) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -2.89
G298 (kcal/mol) = -2.02
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H7Si4(124), cSi4H8(9); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(41)+H7Si4(124)=H7Si4(59)+cSi4H8(9) 7.792e+02 3.620 -0.129
1243. H7Si4(59) + H8Si4(10) ⇔ H8Si4(41) + H7Si4(91) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H8Si4(10), H7Si4(91); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H7Si4(59)+H8Si4(10)=H8Si4(41)+H7Si4(91) 7.792e+02 3.620 -0.129
1527. H6Si3(2) + H7Si4(59) ⇔ H5Si3(24) + H8Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H6Si3(2), H5Si3(24); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H6Si3(2)+H7Si4(59)=H5Si3(24)+H8Si4(41) 7.792e+02 3.620 -0.129
1671. H7Si4(59) + H2Si4(122) ⇔ H8Si4(41) + HSi4(150) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H2Si4(122), HSi4(150); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H7Si4(59)+H2Si4(122)=H8Si4(41)+HSi4(150) 1.948e+02 3.620 -0.129
1803. SiH3SiH(6) + H7Si4(59) ⇔ H3Si2(30) + H8Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); SiH3SiH(6), H3Si2(30); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) SiH3SiH(6)+H7Si4(59)=H3Si2(30)+H8Si4(41) 1.948e+02 3.620 -0.129
1807. H7Si4(59) + H8Si4(10) ⇔ H8Si4(41) + H7Si4(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H8Si4(10), H7Si4(116); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H7Si4(59)+H8Si4(10)=H8Si4(41)+H7Si4(116) 1.948e+02 3.620 -0.129
2061. H9Si4(38) + H8Si4(41) ⇔ H7Si4(59) + H10Si4(33) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = -0.13
G298 (kcal/mol) = -2.84
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H9Si4(38), H10Si4(33); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H9Si4(38)+H8Si4(41)=H7Si4(59)+H10Si4(33) 7.792e+02 3.620 -0.129
2065. H7Si3(37) + H8Si4(41) ⇔ H7Si4(59) + Si3H8(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H7Si3(37), Si3H8(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si3(37)+H8Si4(41)=H7Si4(59)+Si3H8(12) 7.792e+02 3.620 -0.129
2329. H6Si3(2) + H7Si4(59) ⇔ H5Si3(26) + H8Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -9.14
S298 (cal/mol*K) = -6.48
G298 (kcal/mol) = -7.22
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H6Si3(2), H5Si3(26); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H6Si3(2)+H7Si4(59)=H5Si3(26)+H8Si4(41) 1.948e+02 3.620 -0.129
2507. H7Si4(59) + H4Si3(28) ⇔ H8Si4(41) + H3Si3(128) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H)""")
H298 (kcal/mol) = -10.89
S298 (cal/mol*K) = -7.92
G298 (kcal/mol) = -8.53
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H4Si3(28), H3Si3(128); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) H7Si4(59)+H4Si3(28)=H8Si4(41)+H3Si3(128) 1.948e+02 3.620 -0.129
3118. H7Si4(59) + H4Si4(121) ⇔ H8Si4(41) + H3Si4(190) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H4Si4(121), H3Si4(190); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 H7Si4(59)+H4Si4(121)=H8Si4(41)+H3Si4(190) 1.753e+03 3.620 -0.129
3459. H6Si4(61) + H7Si4(59) ⇔ H8Si4(41) + H5Si4(220) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.77
G298 (kcal/mol) = -6.54
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H6Si4(61), H5Si4(220); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 H6Si4(61)+H7Si4(59)=H8Si4(41)+H5Si4(220) 1.753e+03 3.620 -0.129
3708. H7Si4(59) + H6Si4(80) ⇔ H8Si4(41) + H5Si4(212) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -1.39
G298 (kcal/mol) = -6.95
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H6Si4(80), H5Si4(212); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 18 H7Si4(59)+H6Si4(80)=H8Si4(41)+H5Si4(212) 3.507e+03 3.620 -0.129
4039. H7Si4(59) + H4Si4(169) ⇔ H8Si4(41) + H3Si4(170) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H4Si4(169), H3Si4(170); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H7Si4(59)+H4Si4(169)=H8Si4(41)+H3Si4(170) 7.792e+02 3.620 -0.129
4227. H7Si4(59) + H4Si4(162) ⇔ H8Si4(41) + H3Si4(179) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H4Si4(162), H3Si4(179); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 H7Si4(59)+H4Si4(162)=H8Si4(41)+H3Si4(179) 1.558e+03 3.620 -0.129
4516. H8Si4(41) + H5Si4(167) ⇔ H7Si4(59) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H5Si4(167), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(41)+H5Si4(167)=H7Si4(59)+H6Si4(160) 7.792e+02 3.620 -0.129
4694. H7Si4(59) + H6Si4(125) ⇔ H8Si4(41) + H5Si4(139) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H6Si4(125), H5Si4(139); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 H7Si4(59)+H6Si4(125)=H8Si4(41)+H5Si4(139) 1.558e+03 3.620 -0.129
4922. H8Si4(41) + HSi4(176) ⇔ H7Si4(59) + H2Si4(175) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(3.95812e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); HSi4(176), H2Si4(175); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H8Si4(41)+HSi4(176)=H7Si4(59)+H2Si4(175) 7.792e+02 3.620 0.000
5208. H7Si4(59) + H2Si4(178) ⇔ H8Si4(41) + HSi4(180) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -3.58
G298 (kcal/mol) = -6.30
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H2Si4(178), HSi4(180); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H7Si4(59)+H2Si4(178)=H8Si4(41)+HSi4(180) 7.792e+02 3.620 -0.129
5484. H8Si4(41) + H3Si4(171) ⇔ H7Si4(59) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H3Si4(171), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H8Si4(41)+H3Si4(171)=H7Si4(59)+H4Si4(169) 7.792e+02 3.620 0.001
5706. H8Si4(41) + H3Si4(172) ⇔ H7Si4(59) + H4Si4(169) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H3Si4(172), H4Si4(169); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H8Si4(41)+H3Si4(172)=H7Si4(59)+H4Si4(169) 7.792e+02 3.620 0.001
5710. H7Si4(59) + H4Si4(173) ⇔ H8Si4(41) + H3Si4(191) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H4Si4(173), H3Si4(191); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H7Si4(59)+H4Si4(173)=H8Si4(41)+H3Si4(191) 7.792e+02 3.620 -0.129
6210. H8Si4(41) + H5Si4(168) ⇔ H7Si4(59) + H6Si4(160) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H5Si4(168), H6Si4(160); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H8Si4(41)+H5Si4(168)=H7Si4(59)+H6Si4(160) 7.792e+02 3.620 0.001
6449. H8Si4(41) + H5Si4(138) ⇔ H7Si4(59) + H6Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.88
S298 (cal/mol*K) = 1.25
G298 (kcal/mol) = -3.25
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H5Si4(138), H6Si4(125); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(41)+H5Si4(138)=H7Si4(59)+H6Si4(125) 7.792e+02 3.620 -0.129
6838. H7Si4(59) + H4Si4(161) ⇔ H8Si4(41) + H3Si4(199) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.37
S298 (cal/mol*K) = -2.20
G298 (kcal/mol) = -6.71
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); H4Si4(161), H3Si4(199); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 8 H7Si4(59)+H4Si4(161)=H8Si4(41)+H3Si4(199) 1.558e+03 3.620 -0.129
7036. Si2H6(4) + HSi2(42) ⇔ H7Si4(59) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -23.34
S298 (cal/mol*K) = -35.48
G298 (kcal/mol) = -12.77
! Template reaction: Silylene_Insertion ! Flux pairs: Si2H6(4), H7Si4(59); HSi2(42), H7Si4(59); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si2H6(4)+HSi2(42)=H7Si4(59) 1.116e+15 0.000 -0.454
7060. H7Si4(59) + SiH2Si(16) ⇔ H8Si4(41) + HSi2(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(59), H8Si4(41); SiH2Si(16), HSi2(42); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 H7Si4(59)+SiH2Si(16)=H8Si4(41)+HSi2(42) 7.792e+02 3.620 -0.129
7242. SiH2(5) + H5Si3(65) ⇔ H7Si4(59) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -54.17
S298 (cal/mol*K) = -34.69
G298 (kcal/mol) = -43.83
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si3(65), H7Si4(59); SiH2(5), H7Si4(59); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(5)+H5Si3(65)=H7Si4(59) 9.300e+13 0.000 -0.454
7276. H5Si3(65) + H8Si4(41) ⇔ H7Si4(59) + H6Si3(27) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(3.60887e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(41), H7Si4(59); H5Si3(65), H6Si3(27); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si3(65)+H8Si4(41)=H7Si4(59)+H6Si3(27) 7.792e+02 3.620 0.000